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The consistency of large concerted motions in proteins in molecular dynamics simulations.

A detailed investigation is presented into the effect of limited sampling time and small changes in the force field on molecular dynamics simulations of a protein. Thirteen independent simulations of the B1 IgG-binding domain of streptococcal protein G were performed, with small changes in the simul...

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Detalhes bibliográficos
Main Authors: de Groot, B L, van Aalten, D M, Amadei, A, Berendsen, H J
Formato: Artigo
Idioma:Inglês
Publicado em: 1996
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1233640/
https://ncbi.nlm.nih.gov/pubmed/8889148
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