Assessing the Performance of Metadynamics and Path Variables in Predicting the Binding Free Energies of p38 Inhibitors

Published 2012 View Full Article

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Title
Assessing the Performance of Metadynamics and Path Variables in Predicting the Binding Free Energies of p38 Inhibitors
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 8, Issue 4, Pages 1165-1170
Publisher
American Chemical Society (ACS)
Online
2012-03-27
DOI
10.1021/ct3001377

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