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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Detalles Bibliográficos
Autores principales: Thompson, Erik J., DePaul, Allison J., Patel, Sarav S., Sorin, Eric J.
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2010
Materias:
Research Article
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

Internet

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

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