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


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.

SUBMITTER: Weber JK 

PROVIDER: S-EPMC3677858 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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

Weber Jeffrey K JK   Jack Robert L RL   Pande Vijay S VS  

Journal of the American Chemical Society 20130403 15


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 transi  ...[more]

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