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The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation

A new approach in implementing classical molecular dynamics simulation for parallel computers has enabled a simulation to be carried out on a protein with explicit representation of water an order of magnitude longer than previously reported and will soon enable such simulations to be carried into t...

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Detalhes bibliográficos
Main Authors: Duan, Yong, Wang, Lu, Kollman, Peter A.
Formato: Artigo
Idioma:Inglês
Publicado em: The National Academy of Sciences 1998
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC21433/
https://ncbi.nlm.nih.gov/pubmed/9707572
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