How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase

Published 2016 View Full Article

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Title
How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 120, Issue 44, Pages 11381-11394
Publisher
American Chemical Society (ACS)
Online
2016-10-06
DOI
10.1021/acs.jpcb.6b07814

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