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Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field. (2016)

First Author: Bradshaw RT

Attributed to: SI2-CHE: Development and Deployment of Chemical Software for Advanced Potential Energy Surfaces funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00276

PubMed Identifier: 27341007

Publication URI: http://europepmc.org/abstract/MED/27341007

Type: Journal Article/Review

Volume: 12

Parent Publication: Journal of chemical theory and computation

Issue: 8

ISSN: 1549-9618