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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:PLoS Comput Biol
Prif Awduron: Siwy, Christopher M., Lockhart, Christopher, Klimov, Dmitri K.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Public Library of Science 2017
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5279813/
https://ncbi.nlm.nih.gov/pubmed/28085875
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1005314
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