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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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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2012
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| Assuntos: | |
| Acesso em linha: | 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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