Force-Field Induced Bias in the Structure of Aβ21–30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields
Author:
Affiliation:
1. Department of Physics, Drexel University, 3141 Chestnut Street, Philadelphia, Pennsylvania 19104, United States
2. Department of Physics, New Jersey Institute of Technology, University Heights, Newark, New Jersey 07102-1982, United States
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00308
Reference62 articles.
1. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
2. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
3. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
4. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
5. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
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