DFT study of the mechanism of manganese quercetin 2,3-dioxygenase: quest for origins of enzyme unique nitroxygenase activity and regioselectivity

Title
DFT study of the mechanism of manganese quercetin 2,3-dioxygenase: quest for origins of enzyme unique nitroxygenase activity and regioselectivity
Authors
Keywords
Computational chemistry, Density functional theory, Nitric oxide, Transition state, Quercetin
Journal
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
Volume 21, Issue 4, Pages 475-489
Publisher
Springer Nature
Online
2016-05-11
DOI
10.1007/s00775-016-1356-9

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