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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...
Autores principales: | Martín-García, Fernando, Papaleo, Elena, Gomez-Puertas, Paulino, Boomsma, Wouter, Lindorff-Larsen, Kresten |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2015
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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 |
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