Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?

Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?

By applying REMD simulations we have performed comparative analysis of the conformational ensembles of amino-truncated Aβ10-40 peptide produced with five force fields, which combine four protein parameterizations (CHARMM36, CHARMM22*, CHARMM22/cmap, and OPLS-AA) and two water models (standard and mo...

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Bibliographic Details
Main Authors:	Christopher M Siwy, Christopher Lockhart, Dmitri K Klimov
Format:	Article
Language:	English
Published:	Public Library of Science (PLoS) 2017-01-01
Series:	PLoS Computational Biology
Online Access:	http://europepmc.org/articles/PMC5279813?pdf=render

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