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

标题
How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 120, Issue 44, Pages 11381-11394
出版商
American Chemical Society (ACS)
发表日期
2016-10-06
DOI
10.1021/acs.jpcb.6b07814

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