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Kinetic Network Study of the Diversity and Temperature Dependence of Trp-Cage Folding Pathways: Combining Transition Path Theory with Stochastic Simulations

We present a new approach to study a multitude of folding pathways and different folding mechanisms for the 20-residue mini-protein Trp-Cage using the combined power of replica exchange molecular dynamics (REMD) simulations for conformational sampling, Transition Path Theory (TPT) for constructing f...

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Bibliografski detalji
Glavni autori: Zheng, Weihua, Gallicchio, Emilio, Deng, Nanjie, Andrec, Michael, Levy, Ronald M.
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3059588/
https://ncbi.nlm.nih.gov/pubmed/21254767
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp1089596
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