Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, and Electrostatics

Title
Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, and Electrostatics
Authors
Keywords
-
Journal
BIOCHEMISTRY
Volume 48, Issue 44, Pages 10608-10619
Publisher
American Chemical Society (ACS)
Online
2009-10-03
DOI
10.1021/bi901353v

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