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Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations

High-accuracy ab initio folding has remained an elusive objective despite decades of effort. To explore the folding landscape of villin headpiece subdomain HP35, we conducted two sets of replica exchange molecular dynamics for 200 ns each and three sets of conventional microsecond-long molecular dyn...

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Autori principali: Lei, Hongxing, Wu, Chun, Liu, Haiguang, Duan, Yong
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2007
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1829241/
https://ncbi.nlm.nih.gov/pubmed/17360390
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0608432104
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