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Evaluating Molecular Mechanical Potentials for Helical Peptides and Proteins
Multiple variants of the AMBER all-atom force field were quantitatively evaluated with respect to their ability to accurately characterize helix-coil equilibria in explicit solvent simulations. Using a global distributed computing network, absolute conformational convergence was achieved for large e...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2850926/ https://ncbi.nlm.nih.gov/pubmed/20418937 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0010056 |
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