Accurate Biomolecular Simulations Account for Electronic Polarization-Reference-Cited by-同舟云学术

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Accurate Biomolecular Simulations Account for Electronic Polarization

Published:2019-12-04 Issue: Volume:6 Page:
ISSN:2296-889X
Container-title:Frontiers in Molecular Biosciences
language:
Short-container-title:Front. Mol. Biosci.

Author:

Melcr Josef,Piquemal Jean-Philip

Funder

H2020 European Research Council

Publisher

Frontiers Media SA

Subject

Biochemistry, Genetics and Molecular Biology (miscellaneous),Molecular Biology,Biochemistry

Reference123 articles.

1. How well do force fields capture the strength of salt bridges in proteins?;Ahmed;PeerJ,2018

2. A new method for treating drude polarization in classical molecular simulation;Albaugh;J. Chem. Theory Comput.,2017

3. Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers;Antila;J. Phys. Chem. B.,2019

4. The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces;Aviat;J. Chem. Phys.

5. Truncated conjugate gradient: an optimal strategy for the analytical evaluation of the many-body polarization energy and forces in molecular simulations;Aviat;J. Chem. Theory Comput.

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