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Systematic Validation of Protein Force Fields against Experimental Data

Molecular dynamics simulations provide a vehicle for capturing the structures, motions, and interactions of biological macromolecules in full atomic detail. The accuracy of such simulations, however, is critically dependent on the force field—the mathematical model used to approximate the atomic-lev...

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Detalles Bibliográficos
Autores principales:	Lindorff-Larsen, Kresten, Maragakis, Paul, Piana, Stefano, Eastwood, Michael P., Dror, Ron O., Shaw, David E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3285199/ https://www.ncbi.nlm.nih.gov/pubmed/22384157 http://dx.doi.org/10.1371/journal.pone.0032131

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