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Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

Protein dynamics on the atomic level and on the microsecond timescale has recently become accessible from both computation and experiment. To validate molecular dynamics (MD) at the submicrosecond timescale against experiment we present microsecond MD simulations in 10 different force-field configur...

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Autors principals: Lange, Oliver F., van der Spoel, David, de Groot, Bert L.
Format: Artigo
Idioma:Inglês
Publicat: The Biophysical Society 2010
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2905107/
https://ncbi.nlm.nih.gov/pubmed/20643085
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.04.062
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