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

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 th...

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Vydáno v:Journal of the American Chemical Society Ročník 135; číslo 15; s. 5501
Hlavní autoři: Weber, Jeffrey K, Jack, Robert L, Pande, Vijay S
Médium: Journal Article
Jazyk:angličtina
Vydáno: United States 17.04.2013
Témata:
Glass - chemistry
Markov Chains
Models, Molecular
Protein Folding
Protein Structure, Tertiary
Proteins - chemistry
ISSN:1520-5126, 1520-5126
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Shrnutí: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.
Bibliografie:ObjectType-Article-1
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ISSN:1520-5126
1520-5126
DOI:10.1021/ja4002663