Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer

Published:2019-01-11 Issue:2 Volume:15 Page:1440-1452
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Man Viet Hoang¹^ORCID,He Xibing¹,Derreumaux Philippe²^ORCID,Ji Beihong¹,Xie Xiang-Qun¹^ORCID,Nguyen Phuong H.²,Wang Junmei¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States

2. Laboratoire de Biochimie Théorique UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité, IBPC, 13 Rue Pierre et Marie Curie, 75005 Paris, France

Funder

Centre National de la Recherche Scientifique

National Institute on Drug Abuse

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01107

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5. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

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