Literature DB >> 23540906

Emergence of glass-like behavior in Markov state models of protein folding dynamics.

Jeffrey K Weber1, Robert L Jack, Vijay S Pande.   

Abstract

The extent to which glass-like kinetics govern dynamics in protein folding has been heavily debated. Here, we address the subject with an application of space-time perturbation theory to the dynamics of protein folding Markov state models. Borrowing techniques from the s-ensemble method, we argue that distinct active and inactive phases exist for protein folding dynamics, and that kinetics for specific systems can fall into either dynamical regime. We do not, however, observe a true glass transition in any system studied. We go on to discuss how these inactive and active phases might relate to general protein folding properties.

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Year:  2013        PMID: 23540906      PMCID: PMC3677858          DOI: 10.1021/ja4002663

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  19 in total

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10.  Spin glasses and the statistical mechanics of protein folding.

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  13 in total

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Review 9.  Markov state models of biomolecular conformational dynamics.

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10.  Unsupervised Learning Methods for Molecular Simulation Data.

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