QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction

Published 2011 View Full Article

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Title
QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 8, Issue 1, Pages 322-334
Publisher
American Chemical Society (ACS)
Online
2011-11-10
DOI
10.1021/ct2005837

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