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Comparing Molecular Dynamics Force Fields in the Essential Subspace

The continued development and utility of molecular dynamics simulations requires improvements in both the physical models used (force fields) and in our ability to sample the Boltzmann distribution of these models. Recent developments in both areas have made available multi-microsecond simulations o...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Martín-García, Fernando, Papaleo, Elena, Gomez-Puertas, Paulino, Boomsma, Wouter, Lindorff-Larsen, Kresten
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4374674/
https://ncbi.nlm.nih.gov/pubmed/25811178
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0121114
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