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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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Bibliographische Detailangaben
Veröffentlicht in:PLoS One
Hauptverfasser: Martín-García, Fernando, Papaleo, Elena, Gomez-Puertas, Paulino, Boomsma, Wouter, Lindorff-Larsen, Kresten
Format: Artigo
Sprache:Inglês
Veröffentlicht: Public Library of Science 2015
Schlagworte:
Online Zugang: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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