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Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

Recently a temperature-jump FTIR study of a designed three-stranded sheet showing a fast relaxation time of ~140 ± 20 ns was published. We performed massively parallel molecular dynamics simulations in explicit solvent to probe the structural events involved in this relaxation. While our simulations...

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Detalhes bibliográficos
Main Authors: Voelz, Vincent A., Luttmann, Edgar, Bowman, Gregory R., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2672016/
https://ncbi.nlm.nih.gov/pubmed/19399235
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms10031013
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