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Recovering Kinetics from a Simplified Protein-Folding Model Using Replica Exchange Simulations, a Kinetic Network and Effective Stochastic Dynamics

We present an approach to recover kinetics from a simplified protein-folding model at different temperatures using the combined power of replica exchange (RE), a kinetic network and effective stochastic dynamics. While RE simulations generate a large set of discrete states with the correct thermodyn...

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Hlavní autoři: Zheng, Weihua, Andrec, Michael, Gallicchio, Emilio, Levy, Ronald M.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2009
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2975981/
https://ncbi.nlm.nih.gov/pubmed/19655770
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp900445t
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