Effect of the Integration Method on the Accuracy and Computational Efficiency of Free Energy Calculations Using Thermodynamic Integration

Published 2010 View Full Article

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Title
Effect of the Integration Method on the Accuracy and Computational Efficiency of Free Energy Calculations Using Thermodynamic Integration
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 6, Issue 4, Pages 1018-1027
Publisher
American Chemical Society (ACS)
Online
2010-02-25
DOI
10.1021/ct900661c

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