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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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Detalles Bibliográficos
Autores principales: Martín-García, Fernando, Papaleo, Elena, Gomez-Puertas, Paulino, Boomsma, Wouter, Lindorff-Larsen, Kresten
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4374674/
https://www.ncbi.nlm.nih.gov/pubmed/25811178
http://dx.doi.org/10.1371/journal.pone.0121114