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Improved side-chain torsion potentials for the Amber ff99SB protein force field

Recent advances in hardware and software have enabled increasingly long molecular dynamics (MD) simulations of biomolecules, exposing certain limitations in the accuracy of the force fields used for such simulations and spurring efforts to refine these force fields. Recent modifications to the Amber...

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Detalhes bibliográficos
Main Authors: Lindorff-Larsen, Kresten, Piana, Stefano, Palmo, Kim, Maragakis, Paul, Klepeis, John L, Dror, Ron O, Shaw, David E
Formato: Artigo
Idioma:Inglês
Publicado em: Wiley Subscription Services, Inc., A Wiley Company 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2970904/
https://ncbi.nlm.nih.gov/pubmed/20408171
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22711
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