A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy Methods

Published 2011 View Full Article

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Title
A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy Methods
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 7, Issue 12, Pages 4115-4134
Publisher
American Chemical Society (ACS)
Online
2011-10-19
DOI
10.1021/ct2003995

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