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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Bibliografiske detaljer
Main Authors: Lindorff-Larsen, Kresten, Maragakis, Paul, Piana, Stefano, Eastwood, Michael P., Dror, Ron O., Shaw, David E.
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2012
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3285199/
https://ncbi.nlm.nih.gov/pubmed/22384157
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0032131
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