On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
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Title
On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 125, Issue 32, Pages 9304-9316
Publisher
American Chemical Society (ACS)
Online
2021-08-06
DOI
10.1021/acs.jpcb.1c04876
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