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A comparison of structural and dynamic properties of different simulation methods applied to SH3.

The dynamic and static properties of molecular dynamics simulations using various methods for treating solvent were compared. The SH3 protein domain was chosen as a test case because of its small size and high surface-to-volume ratio. The simulations were analyzed in structural terms by examining cr...

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Detalhes bibliográficos
Main Authors: van Aalten, D M, Amadei, A, Bywater, R, Findlay, J B, Berendsen, H J, Sander, C, Stouten, P F
Formato: Artigo
Idioma:Inglês
Publicado em: 1996
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1224968/
https://ncbi.nlm.nih.gov/pubmed/8789085
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