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    <description>recent bookmarks from Vaguery</description>
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      <rdf:Seq>	<rdf:li rdf:resource="https://arxiv.org/abs/2408.05395"/>
	<rdf:li rdf:resource="https://arxiv.org/abs/2101.12258"/>
	<rdf:li rdf:resource="https://arxiv.org/abs/2009.00090"/>
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	<rdf:li rdf:resource="http://arxiv.org/abs/1512.00268"/>
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  </channel><item rdf:about="https://arxiv.org/abs/2408.05395">
    <title>[2408.05395] The evolution of systems biology and systems medicine: From mechanistic models to uncertainty quantification</title>
    <dc:date>2026-05-24T10:49:45+00:00</dc:date>
    <link>https://arxiv.org/abs/2408.05395</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Understanding the mechanisms of interactions within cells, tissues, and organisms is crucial to driving developments across biology and medicine. Mathematical modeling is an essential tool for simulating biological systems and revealing biochemical regulatory mechanisms. Building on experiments, mechanistic models are widely used to describe small-scale intracellular networks and uncover biochemical mechanisms in healthy and diseased states. The rapid development of high-throughput sequencing techniques and computational tools has recently enabled models that span multiple scales, often integrating signaling, gene regulatory, and metabolic networks. These multiscale models enable comprehensive investigations of cellular networks and thus reveal previously unknown disease mechanisms and pharmacological interventions. Here, we review systems biology models from classical mechanistic models to larger, multiscale models that integrate multiple layers of cellular networks. We introduce several examples of models of hypertrophic cardiomyopathy, exercise, and cancer cell proliferation. Additionally, we discuss methods that increase the certainty and accuracy of model predictions. Integrating multiscale models has become a powerful tool for understanding disease and inspiring drug discoveries by incorporating omics data within the cell and across tissues and organisms.
]]></description>
<dc:subject>systems-biology molecular-machinery medicine medical-technology network-theory pharmaceutical machine-learning rather-interesting models-and-modes reaction-networks systems-thinking</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d028f0a81a52/</dc:identifier>
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	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
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	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:models-and-modes"/>
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<item rdf:about="https://arxiv.org/abs/2101.12258">
    <title>[2101.12258] Microswimmers learning chemotaxis with genetic algorithms</title>
    <dc:date>2024-08-14T20:20:29+00:00</dc:date>
    <link>https://arxiv.org/abs/2101.12258</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Various microorganisms and some mammalian cells are able to swim in viscous fluids by performing nonreciprocal body deformations, such as rotating attached flagella or by distorting their entire body. In order to perform chemotaxis, i.e. to move towards and to stay at high concentrations of nutrients, they adapt their swimming gaits in a nontrivial manner. We propose a model how microswimmers are able to autonomously adapt their shape in order to swim in one dimension towards high field concentrations using an internal decision making machinery modeled by an artificial neural network. We present two methods to measure chemical gradients, spatial and temporal sensing, as known for swimming mammalian cells and bacteria, respectively. Using the NEAT genetic algorithm surprisingly simple neural networks evolve which control the shape deformations of the microswimmer and allow them to navigate in static and complex time-dependent chemical environments. By introducing noisy signal transmission in the neural network the well-known biased run-and-tumble motion emerges. Our work demonstrates that the evolution of a simple internal decision-making machinery, which we can fully interpret and is coupled to the environment, allows navigation in diverse chemical landscapes. These findings are of relevance for intracellular biochemical sensing mechanisms of single cells, or for the simple nervous system of small multicellular organisms such as C. elegans.
]]></description>
<dc:subject>molecular-design molecular-machinery evolutionary-algorithms rather-interesting biophysics to-write-about to-simulate consider:topology</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:475b291f07dc/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:evolutionary-algorithms"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biophysics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-write-about"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-simulate"/>
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<item rdf:about="https://arxiv.org/abs/2009.00090">
    <title>[2009.00090] A Survey of Molecular Communication in Cell Biology: Establishing a New Hierarchy for Interdisciplinary Applications</title>
    <dc:date>2021-06-27T12:05:15+00:00</dc:date>
    <link>https://arxiv.org/abs/2009.00090</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Molecular communication (MC) engineering is inspired by the use of chemical signals as information carriers in cell biology. The biological nature of chemical signaling makes MC a promising methodology for interdisciplinary applications requiring communication between cells and other microscale devices. However, since the life sciences and communications engineering fields have distinct approaches to formulating and solving research problems, the mismatch between them can hinder the translation of research results and impede the development and implementation of interdisciplinary solutions. To bridge this gap, this survey proposes a novel communication hierarchy for MC signaling in cell biology and maps phenomena, contributions, and problems to the hierarchy. The hierarchy includes: 1) the Physical Signal Propagation level; 2) the Physical and Chemical Signal Interaction level; 3) the Signal-Data Interface level; 4) the Local Data Abstraction level; and 5) the Application level. To further demonstrate the proposed hierarchy, it is applied to case studies on quorum sensing, neuronal signaling, and communication via DNA. Finally, several open problems are identified for each level and the integration of multiple levels. The proposed hierarchy provides language for communication engineers to study and interface with biological systems, and also helps biologists to understand how communications engineering concepts can be exploited to interpret, control, and manipulate signaling in cell biology.
]]></description>
<dc:subject>systems-biology signal-transduction molecular-design molecular-biology molecular-machinery design-patterns rather-interesting consider:simulation to-write-about</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:a3998b4b2f25/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
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<item rdf:about="https://arxiv.org/abs/1703.03398">
    <title>[1703.03398] Identifying feasible operating regimes for early T-cell recognition: The speed, energy, accuracy trade-off in kinetic proofreading and adaptive sorting</title>
    <dc:date>2020-07-15T13:43:54+00:00</dc:date>
    <link>https://arxiv.org/abs/1703.03398</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[In the immune system, T cells can quickly discriminate between foreign and self ligands with high accuracy. There is evidence that T-cells achieve this remarkable performance utilizing a network architecture based on a generalization of kinetic proofreading (KPR). KPR-based mechanisms actively consume energy to increase the specificity beyond what is possible in this http URL important theoretical question that arises is to understand the trade-offs and fundamental limits on accuracy, speed, and dissipation (energy consumption) in KPR and its generalization. Here, we revisit this question through numerical simulations where we simultaneously measure the speed, accuracy, and energy consumption of the KPR and adaptive sorting networks for different parameter choices. Our simulations highlight the existence of a 'feasible operating regime' in the speed-energy-accuracy plane where T-cells can quickly differentiate between foreign and self ligands at reasonable energy expenditure. We give general arguments for why we expect this feasible operating regime to be a generic property of all KPR-based biochemical networks and discuss implications for our understanding of the T cell receptor circuit.
]]></description>
<dc:subject>immunology molecular-machinery rather-interesting reaction-networks systems-biology to-understand consider:simulation to-write-about</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:05bbf84038a2/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:immunology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:reaction-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
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<item rdf:about="https://www.biorxiv.org/content/10.1101/130112v1?rss=1">
    <title>Optimal information transfer in enzymatic networks: A field theoretic formulation | bioRxiv</title>
    <dc:date>2020-07-09T23:31:28+00:00</dc:date>
    <link>https://www.biorxiv.org/content/10.1101/130112v1?rss=1</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Signaling in enzymatic networks is typically triggered by environmental fluctuations, resulting in a series of stochastic chemical reactions, leading to corruption of the signal by noise. For example, information flow is initiated by binding of extracellular ligands to receptors, which is transmitted through a cascade involving kinase-phosphatase stochastic chemical reactions. For a class of such networks, we develop a general field-theoretic approach in order to calculate the error in signal transmission as a function of an appropriate control variable. Application of the theory to a simple push-pull network, a module in the kinase-phosphatase cascade, recovers the exact results for error in signal transmission previously obtained using umbral calculus (Phys. Rev. X., 4, 041017 (2014)). We illustrate the generality of the theory by studying the minimal errors in noise reduction in a reaction cascade with two connected push-pull modules. Such a cascade behaves as an effective three-species network with a pseudo intermediate. In this case, optimal information transfer, resulting in the smallest square of the error between the input and output, occurs with a time delay, which is given by the inverse of the decay rate of the pseudo intermediate. Surprisingly, in these examples the minimum error computed using simulations that take non-linearities and discrete nature of molecules into account coincides with the predictions of a linear theory. In contrast, there are substantial deviations between simulations and predictions of the linear theory in error in signal propagation in an enzymatic push-pull network for a certain range of parameters. Inclusion of second order perturbative corrections shows that differences between simulations and theoretical predictions are minimized. Our study establishes that a field theoretic formulation of stochastic biological signaling offers a systematic way to understand error propagation in networks of arbitrary complexity.

]]></description>
<dc:subject>systems-biology information-theory molecular-machinery rather-interesting cell-biology biochemistry reaction-networks to-write-about to-simulate</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:8b54d2690dab/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:information-theory"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:cell-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:reaction-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-write-about"/>
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<item rdf:about="https://link.springer.com/article/10.1007/s41965-018-00006-7">
    <title>Towards experimental P-systems using multivesicular liposomes | SpringerLink</title>
    <dc:date>2019-02-14T02:08:54+00:00</dc:date>
    <link>https://link.springer.com/article/10.1007/s41965-018-00006-7</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[P-systems are abstract computational models inspired by the phospholipid bilayer membranes generated by biological cells. Illustrated here is a mechanism by which recursive liposome structures (multivesicular liposomes) may be experimentally produced through electroformation of dipalmitoylphosphatidylcholine films for use in ‘real’ P-systems. We first present the electroformation protocol and microscopic characterisation of incident liposomes towards estimating the size of computing elements, level of internal compartment recursion, fault tolerance and stability. Following, we demonstrate multiple routes towards embedding symbols, namely modification of swelling solutions, passive diffusion, and microinjection. Finally, we discuss how computing devices based on P-systems can be produced and their current limitations.

]]></description>
<dc:subject>unconventional-computing molecular-machinery rather-interesting vesicular-computing experiment nanotechnology to-write-about to-simulate</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:1a04f7554a0c/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:unconventional-computing"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:vesicular-computing"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-write-about"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-simulate"/>
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<item rdf:about="http://www.pnas.org/content/114/36/E7460.abstract">
    <title>Foldamer hypothesis for the growth and sequence differentiation of prebiotic polymers</title>
    <dc:date>2017-09-23T12:05:58+00:00</dc:date>
    <link>http://www.pnas.org/content/114/36/E7460.abstract</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Today’s lifeforms are based on informational polymers, namely proteins and nucleic acids. It is thought that simple chemical processes on the early earth could have polymerized monomer units into short random sequences. It is not clear, however, what physical process could have led to the next level—to longer chains having particular sequences that could increase their own concentrations. We study polymers of hydrophobic and polar monomers, such as today’s proteins. We find that even some random sequence short chains can collapse into compact structures in water, with hydrophobic surfaces that can act as primitive catalysts, and that these could elongate other chains. This mechanism explains how random chemical polymerizations could have given rise to longer sequence-dependent protein-like catalytic polymers.

]]></description>
<dc:subject>lattice-polymers biophysics self-organization origin-of-life simulation rather-interesting to-write-about molecular-design molecular-machinery</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:996a1862cead/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:lattice-polymers"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biophysics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-organization"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:origin-of-life"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:to-write-about"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1509.04145">
    <title>[1509.04145] The physics of epigenetics</title>
    <dc:date>2016-02-25T11:54:51+00:00</dc:date>
    <link>http://arxiv.org/abs/1509.04145</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[In higher organisms, all cells share the same genome, but every cell expresses only a limited and specific set of genes that defines the cell type. During cell division, not only the genome, but also the cell type is inherited by the daughter cells. This intriguing phenomenon is achieved by a variety of processes that have been collectively termed epigenetics: the stable and inheritable changes in gene expression patterns. This article reviews the extremely rich and exquisitely multi-scale physical mechanisms that govern the biological processes behind the initiation, spreading and inheritance of epigenetic states. These include not only the change in the molecular properties associated with the chemical modifications of DNA and histone proteins - such as methylation and acetylation - but also less conventional ones, such as the physics that governs the three-dimensional organization of the genome in cell nuclei. Strikingly, to achieve stability and heritability of epigenetic states, cells take advantage of many different physical principles, such as the universal behavior of polymers and copolymers, the general features of non-equilibrium dynamical systems, and the electrostatic and mechanical properties related to chemical modifications of DNA and histones. By putting the complex biological literature under this new light, the emerging picture is that a limited set of general physical rules play a key role in initiating, shaping and transmitting this crucial "epigenetic landscape". This new perspective not only allows to rationalize the normal cellular functions, but also helps to understand the emergence of pathological states, in which the epigenetic landscape becomes dysfunctional.
]]></description>
<dc:subject>epigenetic review biophysics supramolecular-complexes it's-more-complicated-than-you-think molecular-machinery complexology theory-and-practice-sitting-in-a-tree</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:e502aa78093a/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:epigenetic"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:review"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biophysics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:supramolecular-complexes"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:it's-more-complicated-than-you-think"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:complexology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:theory-and-practice-sitting-in-a-tree"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1512.00268">
    <title>[1512.00268] Chromatin assortativity: integrating epigenomic data and 3D genomic structure</title>
    <dc:date>2016-02-25T11:23:58+00:00</dc:date>
    <link>http://arxiv.org/abs/1512.00268</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Background: The field of 3D chromatin interaction mapping is changing our point of view on the genome, paving the way for new insights into its organization. Network analysis is a natural and powerful way of modelling chromatin interactions. Assortativity is a network property that has been widely used in the social sciences to measure the probability of nodes with similar values of a specific feature to interact preferentially. We propose a new approach, using Chromatin feature Assortativity (ChAs), to integrate the epigenomic landscape of a specific cell type with its chromatin interaction network. Results: We use high-resolution Promoter Capture Hi-C and Hi-Cap data as well as ChIA-PET data from embryonic stem cells to generate promoter-centered interaction networks. We calculate the presence of a collection of 78 chromatin features in the chromatin fragments constituting the nodes of the network. Based on the ChAs of these epigenomic features calculated in 4 different interaction networks, we find Polycomb Group proteins and associated histone marks to play a prominent role. Remarkably, in promoter-centered networks, we observe higher ChAs of the actively elongating form of RNA Polymerase 2 compared to inactive forms in interactions between promoters and other elements. Conclusions: Contacts amongst promoters and between promoters and other elements have different characteristic epigenomic features. Using ChAs we identify a possible role of the elongating form of RNAPII in enhancer activity. Our approach facilitates the study of multiple genome-wide epigenomic profiles, considering network topology and allowing for the comparison of any number of chromatin interaction networks.
]]></description>
<dc:subject>bioinformatics structural-biology it's-more-complicated-than-you-think supramolecular-complex cell-biology molecular-machinery experiment</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d7eadedfcdd2/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:bioinformatics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:it's-more-complicated-than-you-think"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:supramolecular-complex"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:cell-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1505.01980">
    <title>[1505.01980] Evolving Boolean Networks with RNA Editing</title>
    <dc:date>2015-06-12T10:55:21+00:00</dc:date>
    <link>http://arxiv.org/abs/1505.01980</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[The editing of transcribed RNA by other molecules such that the form of the final product differs from that specified in the corresponding DNA sequence is ubiquitous. This paper uses an abstract, tunable Boolean genetic regulatory network model to explore aspects of RNA editing. In particular, it is shown how dynamically altering expressed sequences via a guide RNA-inspired mechanism can be selected for by simulated evolution under various single and multicellular scenarios.
]]></description>
<dc:subject>Kauffmania boolean-networks molecular-machinery engineering-design biological-engineering nudge-targets consider:stress-testing</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:824633090d20/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:Kauffmania"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:boolean-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:engineering-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:consider:stress-testing"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1412.8634">
    <title>[1412.8634] Transcriptional bursting in gene expression: analytical results for general stochastic models</title>
    <dc:date>2015-06-01T11:24:47+00:00</dc:date>
    <link>http://arxiv.org/abs/1412.8634</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Gene expression in individual cells is highly variable and sporadic, often resulting in the synthesis of mRNAs and proteins in bursts. Bursting in gene expression is known to impact cell-fate in diverse systems ranging from latency in HIV-1 viral infections to cellular differentiation. It is generally assumed that bursts are geometrically distributed and that they arrive according to a Poisson process. On the other hand, recent single-cell experiments provide evidence for complex burst arrival processes, highlighting the need for more general stochastic models. To address this issue, we invoke a mapping between general models of gene expression and systems studied in queueing theory to derive exact analytical expressions for the moments associated with mRNA/protein steady-state distributions. These moments are then used to derive explicit conditions, based entirely on experimentally measurable quantities, that determine if the burst distributions deviate from the geometric distribution or if burst arrival deviates from a Poisson process. For non-Poisson arrivals, we develop approaches for accurate estimation of burst parameters.
]]></description>
<dc:subject>biophysics molecular-machinery molecular-biology queueing-theory planning inference rather-interesting models nudge-targets</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:f01ea27716bc/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biophysics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:queueing-theory"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:planning"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:inference"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:models"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://biorxiv.org/content/early/2015/05/12/019257">
    <title>Layering genetic circuits to build a single cell, bacterial half adder | bioRxiv</title>
    <dc:date>2015-05-29T10:54:29+00:00</dc:date>
    <link>http://biorxiv.org/content/early/2015/05/12/019257</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Gene regulation in biological systems is impacted by the cellular and genetic context-dependent effects of the biological parts which comprise the circuit. Here, we have sought to elucidate the limitations of engineering biology from an architectural point of view, with the aim of compiling a set of engineering solutions for overcoming failure modes during the development of complex, synthetic genetic circuits. Using a synthetic biology approach that is supported by computational modelling and rigorous characterisation, AND, OR and NOT biological logic gates were layered in both parallel and serial arrangements to generate a repertoire of Boolean operations that include NIMPLY, XOR, half adder and half subtractor logics in single cell. Subsequent evaluation of these near-digital biological systems revealed critical design pitfalls that triggered genetic context dependent effects, including 5′ UTR interference and uncontrolled switch-on behaviour of σ54 promoter. Importantly, this work provides a representative case study to the debugging of genetic context dependent effects through principles elucidated herein, thereby providing a rational design framework to program single prokaryotic cell with diversified digital operations.

]]></description>
<dc:subject>boolean-networks molecular-machinery biological-engineering Kauffmania rather-interesting experiment</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:53ae4976d405/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:boolean-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:Kauffmania"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://biorxiv.org/content/early/2015/02/03/014787">
    <title>A mechanistic link between cellular trade-offs, gene expression and growth | bioRxiv</title>
    <dc:date>2015-05-28T11:05:55+00:00</dc:date>
    <link>http://biorxiv.org/content/early/2015/02/03/014787</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Intracellular processes rarely work in isolation but continually interact with the rest of the cell. In microbes, for example, we now know that gene expression across the whole genome typically changes with growth rate. The mechanisms driving such global regulation, however, are not well understood. Here we consider three trade-offs that because of limitations in levels of cellular energy, free ribosomes, and proteins are faced by all living cells and construct a mechanistic model that comprises these trade-offs. Our model couples gene expression with growth rate and growth rate with a growing population of cells. We show that the model recovers Monod's law for the growth of microbes and two other empirical relationships connecting growth rate to the mass fraction of ribosomes. Further, we can explain growth related effects in dosage compensation by paralogs and predict host-circuit interactions in synthetic biology. Simulating competitions between strains, we find that the regulation of metabolic pathways may have evolved not to match expression of enzymes to levels of extracellular substrates in changing environments but rather to balance a trade-off between exploiting one type of nutrient over another. Although coarse-grained, the trade-offs that the model embodies are fundamental, and, as such, our modelling framework has potentially wide application, including in both biotechnology and medicine.

]]></description>
<dc:subject>cell-biology simulation theoretical-biology crowding molecular-machinery systems-biology nonlinear-dynamics rather-interesting towards-a-more-realistic-theoretical-biology</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:ed2eb15cf6dc/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:cell-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:theoretical-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:crowding"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nonlinear-dynamics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:towards-a-more-realistic-theoretical-biology"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://biorxiv.org/content/early/2015/04/24/018507">
    <title>Predicting genetic interactions from Boolean models of biological networks | bioRxiv</title>
    <dc:date>2015-05-26T11:01:10+00:00</dc:date>
    <link>http://biorxiv.org/content/early/2015/04/24/018507</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Genetic interaction can be defined as a deviation of the phenotypic quantitative effect of a double gene mutation from the effect predicted from single mutations using a simple (e.g., multiplicative or linear additive) statistical model. Experimentally characterized genetic interaction networks in model organisms provide important insights into relationships between different biological functions. We describe a computational methodology allowing to systematically and quantitatively characterize a Boolean mathematical model of a biological network in terms of genetic interactions between all loss of function and gain of function mutations with respect to all model phenotypes or outputs. We use the probabilistic framework defined in MaBoSS software, based on continuous time Markov chains and stochastic simulations. In addition, we suggest several computational tools for studying the distribution of double mutants in the space of model phenotype probabilities. We demonstrate this methodology on three published models for each of which we derive the genetic interaction networks and analyze their properties. We classify the obtained interactions according to their class of epistasis, dependence on the chosen initial conditions and phenotype. The use of this methodology for validating mathematical models from experimental data and designing new experiments is discussed.

]]></description>
<dc:subject>bioinformatics molecular-machinery inference boolean-networks gene-regulatory-networks data-fusion prediction algorithms nudge-targets</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:f54447946d81/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:bioinformatics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:inference"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:boolean-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:gene-regulatory-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:data-fusion"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:prediction"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:algorithms"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1405.1242">
    <title>[1405.1242] Swimming of an assembly of rigid spheres at low Reynolds number</title>
    <dc:date>2014-11-27T11:32:30+00:00</dc:date>
    <link>http://arxiv.org/abs/1405.1242</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[A matrix formulation is derived for the calculation of the swimming speed and the power required for swimming of an assembly of rigid spheres immersed in a viscous fluid of infinite extent. The spheres may have arbitrary radii and may interact with elastic forces. The analysis is based on the Stokes mobility matrix of the set of spheres, defined in low Reynolds number hydrodynamics. For small amplitude swimming optimization of the swimming speed at given power leads to an eigenvalue problem. The method allows straightforward calculation of the swimming performance of structures modeled as assemblies of interacting rigid spheres.
]]></description>
<dc:subject>engineering-design nanotechnology molecular-machinery physics fluid-dynamics analytical-approach nudge-targets simulation-would-be-good-about-now</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:0c7773581d0d/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:engineering-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:physics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:fluid-dynamics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:analytical-approach"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation-would-be-good-about-now"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1410.4258">
    <title>[1410.4258] A Comprehensive Survey of Recent Advancements in Molecular Communication</title>
    <dc:date>2014-10-19T12:24:54+00:00</dc:date>
    <link>http://arxiv.org/abs/1410.4258</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[In molecular communication, information is conveyed through chemical messages. With much advancement in the field of nanotechnology, bioengineering and synthetic biology over the past decade, micro- and nano-scales devices are becoming a reality. Yet the problem of engineering a reliable communication system between tiny devices is still an open problem. At the same time, despite the prevalence of radio communication, there are still areas where traditional electromagnetic waves find it difficult or expensive to reach. Points of interest in industry, cities, medical, and military applications often lie in embedded and entrenched areas, accessible only by ventricles at scales too small for conventional radio- and micro-waves, or they are located in such a way that directional high frequency systems are ineffective. Molecular communication is a biologically inspired communication scheme that could be employed for solving these problems. Although biologists have studied molecular communication, it is poorly understood from a telecommunication perspective. In this paper, we highlight the recent advancements in the field of molecular communication engineering.
]]></description>
<dc:subject>molecular-machinery biological-engineering communication systems-biology engineering-design design-patterns ontology review interesting</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:4b8177d27e7c/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:communication"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:engineering-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:design-patterns"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:ontology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:review"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:interesting"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1410.0652">
    <title>[1410.0652] Using Simulations and kinetic network models to reveal the dynamics and functions of Riboswitches</title>
    <dc:date>2014-10-08T20:32:11+00:00</dc:date>
    <link>http://arxiv.org/abs/1410.0652</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Riboswitches, RNA elements found in the untranslated region, regulate gene expression by binding to target metaboloites with exquisite specificity. Binding of metabolites to the conserved aptamer domain allosterically alters the conformation in the downstream expression platform. The fate of gene expression is determined by the changes in the downstream RNA sequence. As the metabolite-dependent cotranscriptional folding and unfolding dynamics of riboswitches is the key determinant of gene expression, it is important to investigate both the thermodynamics and kinetics of riboswitches both in the presence and absence of metabolite. Single molecule force experiments that decipher the free energy landscape of riboswitches from their mechanical responses, theoretical and computational studies have recently shed light on the distinct mechanism of folding dynamics in different classes of riboswitches. Here we first discuss the dynamics of water around riboswitch, highlighting that water dynamics can enhance the fluctuation of nucleic acid structure. To go beyond native state fluctuations we used the Self-Organized Polymer (SOP) model to predict the dynamics of add adenine riboswitch under mechanical forces. In addition to quantitatively predicting the folding landscape of add-riboswitch our simulations also explain the difference in the dynamics between pbuE adenine- and add adenine-riboswitches. In order to probe the function {\it in vivo} we use the folding landscape to propose a system level kinetic network model to quantitatively predict how gene expression is regulated for riboswitches that are under kinetic control.
]]></description>
<dc:subject>molecular-machinery molecular-biology biochemistry macromolecules biological-engineering nanotechnology experiment simulation nudge-targets consider:rule-discovery</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:c6444c89d292/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:macromolecules"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:consider:rule-discovery"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1304.3675">
    <title>[1304.3675] Self-assembly of colloidal polymers via depletion-mediated lock and key binding</title>
    <dc:date>2014-08-31T12:27:29+00:00</dc:date>
    <link>http://arxiv.org/abs/1304.3675</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[We study the depletion-induced self-assembly of indented colloids. Using state-of-the-art Monte Carlo simulation techniques that treat the depletant particles explicitly, we demonstrate that colloids assemble by a lock-and-key mechanism, leading to colloidal polymerization. The morphology of the chains that are formed depends sensitively on the size of the colloidal indentation, with smaller values additionally permitting chain branching. In contrast to the case of spheres with attractive patches, Wertheim's thermodynamic perturbation theory fails to provide a fully quantitative description of the polymerization transition. We trace this failure to a neglect of packing effects and we introduce a modified theory that accounts better for the shape of the colloids, yielding improved agreement with simulation.
]]></description>
<dc:subject>self-assembly molecular-machinery physical-chemistry simulation experiment molecular-crowding rather-interesting nanohistory nudge-targets consider:strategies consider:rule-discovery</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:db5fc3f5ace7/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:physical-chemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-crowding"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:rather-interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanohistory"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:consider:strategies"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:consider:rule-discovery"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1403.2269">
    <title>[1403.2269] Virus Assembly on a Membrane is Facilitated by Membrane Microdomains</title>
    <dc:date>2014-04-20T10:28:46+00:00</dc:date>
    <link>http://arxiv.org/abs/1403.2269</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[For many viruses assembly and budding occur simultaneously during virion formation. Understanding the mechanisms underlying this process could promote biomedical efforts to block viral propagation and enable use of capsids in nanomaterials applications. To this end, we have performed molecular dynamics simulations on a coarse-grained model that describes virus assembly on a fluctuating lipid membrane. Our simulations show that the membrane can promote association of adsorbed subunits through dimensional reduction, but also can introduce barriers that inhibit complete assembly. We find several mechanisms, including one not anticipated by equilibrium theories, by which membrane microdomains, such as lipid rafts, can enhance assembly by reducing these barriers. We show how this predicted mechanism can be experimentally tested. Furthermore, the simulations demonstrate that assembly and budding depend crucially on the system dynamics via multiple timescales related to membrane deformation, protein diffusion, association, and adsorption onto the membrane.
]]></description>
<dc:subject>structural-biology simulation membrane-biochemistry self-assembly molecular-design molecular-machinery well-duh it's-crowded-inside-a-cell</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:f4c5e15ddc07/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:membrane-biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:well-duh"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:it's-crowded-inside-a-cell"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1312.6209">
    <title>[1312.6209] What makes the lac-pathway switch: identifying the fluctuations that trigger phenotype switching in gene regulatory systems</title>
    <dc:date>2014-04-07T11:27:01+00:00</dc:date>
    <link>http://arxiv.org/abs/1312.6209</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Multistable gene regulatory systems sustain different levels of gene expression under identical external conditions. Such multistability is used to encode phenotypic states in processes ranging from nutrient uptake and persistence in bacteria to cell cycle control and development. Stochastic switching between different phenotypes can occur as the result of random fluctuations in molecular copy numbers of mRNA and proteins arising in transcription, translation, transport, and binding. However, which component of a pathway triggers such a transition is generally not known. By linking single-cell experiments on the lactose-uptake pathway in E. coli to molecular simulations, we devise a general method to pinpoint the particular fluctuation driving phenotype switching and apply it to the transition between the uninduced and induced states of the lac-genes. We find that the transition to the induced state is not caused only by the single event of lac-repressor unbinding, but depends crucially on the time period over which the repressor remains unbound from the lac-operon. We confirm this notion in strains with a high expression level of the repressor lacI (leading to shorter periods over which the lac-operon remains unbound), which show a reduced transition rate. Our techniques apply to multistable gene regulatory systems in general and allow to identify the molecular mechanisms behind stochastic transitions in gene regulatory circuits.
]]></description>
<dc:subject>systems-biology gene-regulatory-networks experiment biochemistry physiology simulation interesting stochastic-systems molecular-machinery</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:46baae3d4e15/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:gene-regulatory-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:physiology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:interesting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:stochastic-systems"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1312.5565">
    <title>[1312.5565] What Transcription Factors Can't Do: On the Combinatorial Limits of Gene Regulatory Networks</title>
    <dc:date>2014-03-31T20:25:50+00:00</dc:date>
    <link>http://arxiv.org/abs/1312.5565</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[A proof is presented that gene regulatory networks (GRNs) based solely on transcription factors cannot control the development of complex multicellular life. GRNs alone cannot explain the evolution of multicellular life in the Cambrian Explosion. Networks are based on addressing systems which are used to construct network links. The more complex the network the greater the number of links and the larger the required address space. It has been assumed that combinations of transcription factors generate a large enough address space to form GRNs that are complex enough to control the development of complex multicellular life. However, it is shown in this article that transcription factors do not have sufficient combinatorial power to serve as the basis of an addressing system for regulatory control of genomes in the development of complex organisms. It is proven that given n transcription factor genes in a genome and address combinations of length k then there are at most n/k k-length transcription factor addresses in the address space. The complexity of embryonic development requires a corresponding complexity of control information in the cell and its genome. Therefore, a different addressing system must exist to form the complex control networks required for complex control systems. It is postulated that a new type of network evolved based on an RNA-DNA addressing system that utilized and subsumed the extant GRNs. These new developmental control networks are called CENES (for Control genes). The evolution of these new higher networks would explain how the Cambrian Explosion was possible. The architecture of these higher level networks may in fact be universal (modulo syntax) in the genomes of all multicellular life.]]></description>
<dc:subject>gene-regulatory-networks systems-biology Kauffmania theoretical-biology molecular-machinery combinatorics bioinformatics the-mangle-in-practice</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:75a62a9f1db7/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:gene-regulatory-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:Kauffmania"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:theoretical-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:combinatorics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:bioinformatics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:the-mangle-in-practice"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1312.4146">
    <title>[1312.4146] Unfolding kinetics of periodic DNA hairpins</title>
    <dc:date>2014-01-17T14:57:29+00:00</dc:date>
    <link>http://arxiv.org/abs/1312.4146</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[DNA hairpin molecules with periodic base sequences can be expected to exhibit a regular coarse-grained free energy landscape (FEL) as function of the number of open base pairs and applied mechanical force. Using a commonly employed model, we first analyse for which types of sequences a particularly simple landscape structure is predicted, where forward and backward energy barriers between partly unfolded states are decreasing linearly with force. Stochastic unfolding trajectories for such molecules with simple FEL are subsequently generated by kinetic Monte Carlo simulations. Introducing probabilities that can be sampled from these trajectories, it is shown how the parameters characterising the FEL can be estimated. Already 300 trajectories, as typically generated in experiments, provide faithful results for the FEL parameters.
]]></description>
<dc:subject>structural-biology molecular-machinery experiment modeling DNA biochemistry</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:cd0bd3a00371/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:modeling"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:DNA"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1310.4309">
    <title>[1310.4309] Optimizing water permeability through the hourglass shape of aquaporins</title>
    <dc:date>2013-12-04T23:11:35+00:00</dc:date>
    <link>http://arxiv.org/abs/1310.4309</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[The ubiquitous aquaporin channels are able to conduct water across cell membranes, combining the seemingly antagonist functions of a very high selectivity with a remarkable permeability. Whereas molecular details are obvious keys to perform these tasks, the overall efficiency of transport in such nanopores is also strongly limited by viscous dissipation arising at the connection between the nanoconstriction and the nearby bulk reservoirs. In this contribution, we focus on these so-called entrance effects and specifically examine whether the characteristic hourglass shape of aquaporins may arise from a geometrical optimum for such hydrodynamic dissipation. Using a combination of finite-element calculations and analytical modeling, we show that conical entrances with suitable opening angle can indeed provide a large increase of the overall channel permeability. Moreover, the optimal opening angles that maximize the permeability are found to compare well with the angles measured in a large variety of aquaporins. This suggests that the hourglass shape of aquaporins could be the result of a natural selection process toward optimal hydrodynamic transport. Finally, in a biomimetic perspective, these results provide guidelines to design artificial nanopores with optimal performances.
]]></description>
<dc:subject>molecular-design molecular-machinery biological-engineering structural-biology engineering-design</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:b530f83e2d6e/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:engineering-design"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1311.4514">
    <title>[1311.4514] The importance of crowding in signaling, genetic, and metabolic networks</title>
    <dc:date>2013-12-04T21:31:10+00:00</dc:date>
    <link>http://arxiv.org/abs/1311.4514</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[It is now well established that the cell is a highly crowded environment. Yet, the effects of crowding on the dynamics of signaling pathways, gene regulation networks and metabolic networks are still largely unknown. Crowding can alter both molecular diffusion and the equilibria of biomolecular reactions. In this review, we first discuss how diffusion can affect biochemical networks. Diffusion of transcription factors can increase noise in gene expression, while diffusion of proteins between intracellular compartments or between cells can reduce concentration fluctuations. In push-pull networks diffusion can impede information transmission, while in multi-site protein modification networks diffusion can qualitatively change the macroscopic response of the system, such as the loss or emergence of bistability. Moreover, diffusion can directly change the metabolic flux. We describe how crowding affects diffusion, and thus how all these phenomena are influenced by crowding. Yet, a potentially more important effect of crowding on biochemical networks is mediated via the shift in the equilibria of bimolecular reactions, and we provide computational evidence that supports this idea. Finally, we discuss how the effects of crowding can be incorporated in models of biochemical networks.
]]></description>
<dc:subject>systems-biology structural-biology molecular-machinery dynamical-systems space-matters simulation departures-from-the-ideal interesting</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:f5cfd1d5738f/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:dynamical-systems"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:space-matters"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:departures-from-the-ideal"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:interesting"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1309.6449">
    <title>[1309.6449] Exploring Programmable Self-Assembly in Non-DNA based Molecular Computing</title>
    <dc:date>2013-11-28T12:34:50+00:00</dc:date>
    <link>http://arxiv.org/abs/1309.6449</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Self-assembly is a phenomenon observed in nature at all scales where autonomous entities build complex structures, without external influences nor centralised master plan. Modelling such entities and programming correct interactions among them is crucial for controlling the manufacture of desired complex structures at the molecular and supramolecular scale. This work focuses on a programmability model for non DNA-based molecules and complex behaviour analysis of their self-assembled conformations. In particular, we look into modelling, programming and simulation of porphyrin molecules self-assembly and apply Kolgomorov complexity-based techniques to classify and assess simulation results in terms of information content. The analysis focuses on phase transition, clustering, variability and parameter discovery which as a whole pave the way to the notion of complex systems programmability.
]]></description>
<dc:subject>self-assembly nanotechnology molecular-design molecular-machinery stamp-collecting classification emergent-design</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:45dc27288a65/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:stamp-collecting"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:classification"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:emergent-design"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1310.5778">
    <title>[1310.5778] Interplay between single-stranded binding proteins on RNA secondary structure</title>
    <dc:date>2013-11-03T13:23:36+00:00</dc:date>
    <link>http://arxiv.org/abs/1310.5778</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[RNA protein interactions control the fate of cellular RNAs and play an important role in gene regulation. An interdependency between such interactions allows for the implementation of logic functions in gene regulation. We investigate the interplay between RNA binding partners in the context of the statistical physics of RNA secondary structure, and define a linear correlation function between the two partners as a measurement of the interdependency of their binding events. We demonstrate the emergence of a long-range power-law behavior of this linear correlation function. This suggests RNA secondary structure driven interdependency between binding sites as a general mechanism for combinatorial post-transcriptional gene regulation.
]]></description>
<dc:subject>RNA structural-biology molecular-biology molecular-machinery bioinformatics</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:4857b22685c7/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:RNA"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:bioinformatics"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1310.1579">
    <title>[1310.1579] Distribution of lifetimes of kinetochore-microtubule attachments:interplay of energy landscape, molecular motors and microtubule (de-)polymerization</title>
    <dc:date>2013-10-18T12:27:35+00:00</dc:date>
    <link>http://arxiv.org/abs/1310.1579</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Before a cell divides into two daughter cells, the chromosomes are replicated resulting in two sister chromosomes embracing each other. Each sister chromosome is bound to a separate proteinous structure, called kinetochore (kt), that captures the tip of a filamentous protein, called microtubule (MT). Two oppositely oriented MTs pull the two kts attached to two sister chromosomes thereby pulling the two sisters away from each other. Here we theoretically study an even simpler system, namely an isolated kt coupled to a single MT; this system mimics an {\it in-vitro} experiment where a single kt-MT attachment is reconstituted using purified extracts from budding yeast. Our models not only account for the experimentally observed "catch-bond-like" behavior of the kt-MT coupling, but also make new predictions on the probability distribution of the lifetimes of the attachments. In principle, our new predictions can be tested by analyzing the data collected in the {\it in-vitro} experiments provided the experiment is repeated sufficiently large number of times. Our theory provides a deep insight into the effects of (a) size, (b) energetics, and (c) stochastic kinetics of the kt-MT coupling on the distribution of the lifetimes of these attachments.
]]></description>
<dc:subject>structural-biology cellular-biology simulation molecular-machinery cell-physiology</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d7548cf5d108/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:cellular-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:cell-physiology"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1305.3007">
    <title>[1305.3007] Probing water structures in nanopores using tunneling currents</title>
    <dc:date>2013-09-17T12:13:19+00:00</dc:date>
    <link>http://arxiv.org/abs/1305.3007</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[We study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory, we show that the structural motifs water assumes inside the pore can be probed directly by tunneling. In particular, we show that the current does not follow a simple exponential curve at a critical pore diameter of about 8 {\AA}, rather it is larger than the one expected from simple tunneling through a barrier. This is due to a structural transition from bulk-like to "nanodroplet" water domains. Our results can be tested with present experimental capabilities to develop our understanding of water as a complex medium at nanometer length scales.
]]></description>
<dc:subject>molecular-machinery simulation biochemistry nanotechnology nudge-targets consider:design-substrate</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d347927f9ed2/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:consider:design-substrate"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1302.1853">
    <title>[1302.1853] Cooperative effects enhance the transport properties of molecular spider teams</title>
    <dc:date>2013-04-16T22:59:48+00:00</dc:date>
    <link>http://arxiv.org/abs/1302.1853</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Molecular spiders are synthetic molecular motors based on DNA nanotechnology. While natural molecular motors have evolved towards very high efficiency, it remains a major challenge to develop efficient designs for man-made molecular motors. Inspired by biological motor proteins like kinesin and myosin, molecular spiders comprise a body and several legs. The legs walk on a lattice that is coated with substrate which can be cleaved catalytically. We propose a novel molecular spider design in which n spiders form a team. Our theoretical considerations show that coupling several spiders together alters the dynamics of the resulting team significantly. Although spiders operate at a scale where diffusion is dominant, spider teams can be tuned to behave nearly ballistic, which results in fast and predictable motion. Based on the separation of time scales of substrate and product dwell times, we develop a theory which utilises equivalence classes to coarse-grain the micro-state space. In addition, we calculate diffusion coefficients of the spider teams, employing a mapping of an n-spider team to an n-dimensional random walker on a confined lattice. We validate these results with Monte Carlo simulations and predict optimal parameters of the molecular spider team architecture which makes their motion most directed and maximally predictable.]]></description>
<dc:subject>nanotechnology molecular-design molecular-machinery molecular-spider-team-ACTIVATE</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:eaf0ce79bd59/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-spider-team-ACTIVATE"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1209.6379">
    <title>[1209.6379] Crowding induced entropy-enthalpy compensation in protein association equilibria</title>
    <dc:date>2013-04-14T12:00:09+00:00</dc:date>
    <link>http://arxiv.org/abs/1209.6379</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[A statistical mechanical theory is presented to predict the effects of macromolecular crowding on protein association equilibria, accounting for both excluded volume and attractive interactions between proteins and crowding molecules. Predicted binding free energies are in excellent agreement with simulation data over a wide range of crowder sizes and packing fraction. It is shown that attractive interactions between proteins and crowding agents counteract the stabilizing effects of excluded volume interactions. A critical attraction strength, for which there is no net effect of crowding, is almost independent of the crowder packing fraction.]]></description>
<dc:subject>simulation molecular-machinery structural-biology biophysics macromolecules nudge-targets experiment</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d095d98ce5d0/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biophysics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:macromolecules"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1303.3898">
    <title>[1303.3898] Crumpled globule possesses the properties of molecular machines</title>
    <dc:date>2013-03-30T14:09:53+00:00</dc:date>
    <link>http://arxiv.org/abs/1303.3898</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[Folding and unfolding of a crumpled polymer globule is regarded as a cascade of equilibrium phase transitions in a hierarchical system, similar to the Dyson hierarchical spin model. Studying the relaxation properties of the elastic network of contacts in a crumpled globule, we show that the dynamic properties of hierarchically folded polymer chains in globular phase are similar to those of molecular machines.]]></description>
<dc:subject>molecular-design molecular-machinery structural-biology energy-landscapes protein-folding nudge-targets</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:d43fda22c6ea/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:energy-landscapes"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:protein-folding"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1211.0662">
    <title>[1211.0662] Hidden Complexity in the Isomerization Dynamics of Holliday Junctions</title>
    <dc:date>2013-03-06T19:06:36+00:00</dc:date>
    <link>http://arxiv.org/abs/1211.0662</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA[A plausible consequence of rugged energy landscapes of biomolecules is that functionally competent folded states may not be unique, as is generally assumed. Indeed, molecule-to-molecule variations in the dynamics of enzymes and ribozymes under folding conditions have recently been identified in single molecule experiments. However, systematic quantification and the structural origin of the observed complex behavior remain elusive. Even for a relatively simple case of isomerization dynamics in Holliday Junctions (HJs), molecular heterogeneities persist over a long observation time (Tobs ~ 40 sec). Here, using concepts in glass physics and complementary clustering analysis, we provide a quantitative method to analyze the smFRET data probing the isomerization in HJ dynamics. We show that ergodicity of HJ dynamics is effectively broken; as a result, the conformational space of HJs is partitioned into a folding network of kinetically disconnected clusters. While isomerization dynamics in each cluster occurs rapidly as if the associated conformational space is fully sampled, distinct patterns of time series belonging to different clusters do not interconvert on Tobs. Theory suggests that persistent heterogeneity of HJ dynamics is a consequence of internal multiloops with varying sizes and flexibilities frozen by Mg2+ ions. An annealing experiment using Mg2+ pulse that changes the Mg2+ cocentration from high to low to high values lends support to this idea by explicitly showing that interconversions can be driven among trajectories with different patterns.]]></description>
<dc:subject>molecular-design molecular-machinery biochemistry experiment protein-folding structural-biology</dc:subject>
<dc:source>https://pinboard.in/</dc:source>
<dc:identifier>https://pinboard.in/u:Vaguery/b:95b009c64a0f/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:experiment"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:protein-folding"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1102.2359">
    <title>[1102.2359] A Phyllotactic Approach to the Structure of Collagen Fibrils</title>
    <dc:date>2011-04-02T12:48:50+00:00</dc:date>
    <link>http://arxiv.org/abs/1102.2359</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["… We examine here how the algorithm of phyllotaxis could contribute to the analysis of the structure of collagen fibrils. Such an algorithm indeed leads to organizations giving to each element of the assembly the most homogeneous and isotropic dense environment in a situation of cylindrical symmetry. The scattered intensity expected from a phyllotactic distribution of triple helices in collagen fibrils well agrees with the major features observed along the equatorial direction of their X ray patterns. Following this approach, the aggregation of triple helices in fibrils should be considered within the frame of soft condensed matter studies rather than that of molecular crystal studies."]]></description>
<dc:subject>self-assembly nanotechnology molecular-design molecular-machinery theoretical-biology structural-biology crystallography condensed-matter</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:4e0746d267c7/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:theoretical-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:structural-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:crystallography"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:condensed-matter"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1008.1101">
    <title>[1008.1101] Control of pathways and yields of protein crystallization through the interplay of nonspecific and specific attractions</title>
    <dc:date>2010-08-12T19:04:35+00:00</dc:date>
    <link>http://arxiv.org/abs/1008.1101</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["We use computer simulation to study crystal-forming model proteins equipped with interactions that are both orientationally specific and nonspecific. Distinct dynamical pathways of crystal formation can be selected by tuning the strengths of these interactions. When the nonspecific interaction is strong, liquidlike clustering can precede crystallization; when it is weak, growth can proceed via ordered nuclei. Crystal yields are in certain parameter regimes enhanced by the nonspecific interaction, even though it promotes association without local crystalline order. Our results suggest that equipping nanoscale components with weak nonspecific interactions (such as depletion attractions) can alter both their dynamical pathway of assembly and optimize the yield of the resulting material."
]]></description>
<dc:subject>molecular-design molecular-machinery simulation self-assembly emergent-design nudge-targets physics-is-fun</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:0019f59e075d/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:simulation"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:emergent-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:physics-is-fun"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1003.1324">
    <title>[1003.1324] Passive swimming in low Reynolds number flows</title>
    <dc:date>2010-08-03T01:02:27+00:00</dc:date>
    <link>http://arxiv.org/abs/1003.1324</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["The possibility of microscopic swimming by extraction of energy from an external flow is discussed, focusing on the migration of a simple trimer across a linear shear flow. The geometric properties of swimming, together with the possible generalization to the case of a vesicle, are analyzed.The mechanism of energy extraction from the flow appears to be the generalization to a discrete swimmer of the tank-treading regime of a vesicle. The swimmer takes advantage of the external flow by both extracting energy for swimming and "sailing" through it. The migration velocity is found to scale linearly in the stroke amplitude, and not quadratically as in a quiescent fluid. This effect turns out to be connected with the non-applicability of the scallop theorem in the presence of external flow fields."
]]></description>
<dc:subject>molecular-design molecular-machinery biomechanics nudge-targets emergent-design</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:2fa67b55c8df/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biomechanics"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:emergent-design"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1007.2668">
    <title>[1007.2668] Protein abundances and interactions coevolve to promote functional complexes while suppressing non-specific binding</title>
    <dc:date>2010-07-30T11:57:49+00:00</dc:date>
    <link>http://arxiv.org/abs/1007.2668</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["How do living cells achieve sufficient abundances of functional protein complexes while minimizing promiscuous non-functional interactions between their proteins? Here we study this problem using a first-principle model of the cell whose phenotypic traits are directly determined from its genome through biophysical properties of protein structures and binding interactions in crowded cellular environment. The model cell includes three independent pathways, whose topologies of PPI subnetworks are different, but whose functional concentrations equally contribute to cell's fitness. The model cells evolve through genotypic mutations and phenotypic protein copy number variations. We found a strong relationship between evolved physical-chemical properties of protein interactions and their abundances due to a "frustration" effect: strengthening of functional interactions brings about hydrophobic surfaces, which make proteins prone to promiscuous binding.…"
]]></description>
<dc:subject>systems-biology biochemistry emergent-design systems-engineering molecular-machinery nudge-targets</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:343ad9444251/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:emergent-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1003.2791">
    <title>[1003.2791] Adaptive response and enlargement of dynamic range</title>
    <dc:date>2010-07-30T01:46:55+00:00</dc:date>
    <link>http://arxiv.org/abs/1003.2791</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["…Here we study the quantitative relation between adaptive response and background compensation within a modeling framework. In contrast to the commonly held view, we show that any particular type of adaptive response is neither sufficient nor necessary for adaptive enlargement of dynamic range. In particular a precise adaptive response, where system activity is maintained at a constant level at steady state, does not ensure a large dynamic range neither in input signal nor in system output. A general mechanism for input dynamic range enlargement comes about from the activity-dependent modulation of protein responsiveness by multiple biochemical modification, regardless of the type of adaptive response it induces. Therefore hierarchical biochemical processes such as methylation and phosphorylation are natural candidates to induce this property in signalling systems."
]]></description>
<dc:subject>biochemistry molecular-machinery systems-biology dynamical-systems dynamic-control-prospects</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:1f106a9453aa/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biochemistry"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:systems-biology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:dynamical-systems"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:dynamic-control-prospects"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1007.4583">
    <title>[1007.4583] A population-based microbial oscillator</title>
    <dc:date>2010-07-28T11:29:25+00:00</dc:date>
    <link>http://arxiv.org/abs/1007.4583</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["Genetic oscillators are a major theme of interest in the emerging field of synthetic biology. Until recently, most work has been carried out using intra-cellular oscillators, but this approach restricts the broader applicability of such systems. Motivated by a desire to develop large-scale, spatially-distributed cell-based computational systems, we present an initial design for a population-level oscillator which uses three different bacterial strains. Our system is based on the client-server model familiar to computer science, and uses quorum sensing for communication between nodes. We present the results of extensive in silico simulation tests, which confirm that our design is both feasible and robust."
]]></description>
<dc:subject>biological-engineering microbiology complexology oscillator-networks molecular-machinery quorum-sensing nudge-targets</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:9805a2ad1ce6/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:biological-engineering"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:microbiology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:complexology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:oscillator-networks"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:quorum-sensing"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nudge-targets"/>
</rdf:Bag></taxo:topics>
</item>
<item rdf:about="http://arxiv.org/abs/1007.3712">
    <title>[1007.3712] Formal Verification of Self-Assembling Systems</title>
    <dc:date>2010-07-26T13:04:58+00:00</dc:date>
    <link>http://arxiv.org/abs/1007.3712</link>
    <dc:creator>Vaguery</dc:creator><description><![CDATA["This paper introduces the theory and practice of formal verification of self-assembling systems. We interpret a well-studied abstraction of nanomolecular self assembly, the Abstract Tile Assembly Model (aTAM), into Computation Tree Logic (CTL), a temporal logic often used in model checking. We then consider the class of "rectilinear" tile assembly systems. This class includes most aTAM systems studied in the theoretical literature, and all (algorithmic) DNA tile self-assembling systems that have been realized in laboratories to date. We present a polynomial-time algorithm that, given a tile assembly system T as input, either provides a counterexample to T's rectilinearity or verifies whether T has a unique terminal assembly. …"
]]></description>
<dc:subject>self-assembly nanotechnology emergent-design molecular-design molecular-machinery engineering-design testing</dc:subject>
<dc:identifier>https://pinboard.in/u:Vaguery/b:1487dcb6313c/</dc:identifier>
<taxo:topics><rdf:Bag>	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:self-assembly"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:nanotechnology"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:emergent-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:molecular-machinery"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:engineering-design"/>
	<rdf:li rdf:resource="https://pinboard.in/u:Vaguery/t:testing"/>
</rdf:Bag></taxo:topics>
</item>
</rdf:RDF>