Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations

Title
Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 115, Issue 10, Pages 2470-2476
Publisher
American Chemical Society (ACS)
Online
2011-02-19
DOI
10.1021/jp1122294

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