Matching of Additive and Polarizable Force Fields for Multiscale Condensed Phase Simulations-Reference-Cited by-同舟云学术

Matching of Additive and Polarizable Force Fields for Multiscale Condensed Phase Simulations

Published:2013-05-29 Issue:6 Volume:9 Page:2826-2837
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Baker Christopher M.¹,Best Robert B.¹²

Affiliation:

1. University of Cambridge, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, United Kingdom

2. Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400116g

Reference101 articles.

1. Molecular dynamics simulations of biomolecules

2. Baker, C. M.; Darian, E.; MacKerell, A. D., Jr.InInnovations in Biomolecular Modeling and Simulations;Schlick, T., Ed.RSC Publications:Cambridge, UK, 2012; Vol.1, pp23–50.

3. Current Status of the AMOEBA Polarizable Force Field

4. Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acid

5. Alanyl dipeptide potential-derived net atomic charges and bond dipoles, and their variation with molecular conformation

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