QM/MM Free-Energy Simulations of Reaction in Serratia marcescens Chitinase B Reveal the Protonation State of Asp142 and the Critical Role of Tyr214

Published 2014 View Full Article

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Title
QM/MM Free-Energy Simulations of Reaction in Serratia marcescens Chitinase B Reveal the Protonation State of Asp142 and the Critical Role of Tyr214
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 118, Issue 18, Pages 4771-4783
Publisher
American Chemical Society (ACS)
Online
2014-04-15
DOI
10.1021/jp500652x

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