Predicting Activity Cliffs with Free-Energy Perturbation

Published 2019 View Full Article

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Title
Predicting Activity Cliffs with Free-Energy Perturbation
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 3, Pages 1884-1895
Publisher
American Chemical Society (ACS)
Online
2019-02-19
DOI
10.1021/acs.jctc.8b01290

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