Evaluating molecular mechanical potentials for helical peptides and proteins.

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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Bibliographic Details
Main Authors: Erik J Thompson, Allison J DePaul, Sarav S Patel, Eric J Sorin
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2010-04-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC2850926?pdf=render

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