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Heterogeneity Even at the Speed Limit of Folding: Large-Scale Molecular Dynamics Study of a Fast-Folding Variant of the Villin Headpiece

We have performed molecular dynamics (MD) simulations on a set of 9 unfolded conformations of the fastest-folding protein yet discovered, a variant of the villin headpiece subdomain (HP-35 NleNle). The simulations were generated using a new distributed computing method, yielding hundreds of trajecto...

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Detalhes bibliográficos
Main Authors: Ensign, Daniel L., Kasson, Peter M., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado em: 2007
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3689540/
https://ncbi.nlm.nih.gov/pubmed/17950314
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2007.09.069
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