Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration

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Authors: Agastya P. Bhati, Shunzhou Wan, David W. Wright, Peter V. Coveney

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/1

Journal publisher: American Chemical Society

Published year: 2016

Published pages: 210-222

DOI identifier: 10.1021/acs.jctc.6b00979

ISSN: 1549-9618