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...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Public Library of Science (PLoS)
2017-01-01
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Series: | PLoS Computational Biology |
Online Access: | http://europepmc.org/articles/PMC5279813?pdf=render |