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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...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2850926/ https://www.ncbi.nlm.nih.gov/pubmed/20418937 http://dx.doi.org/10.1371/journal.pone.0010056 |