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Theoretical Studies of Manganese and Iron Superoxide Dismutases: Superoxide Binding and Superoxide Oxidation

✍ Scribed by Abreu, Isabel A.; Rodriguez, José A.; Cabelli, Diane E.

Book ID
120328861
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
344 KB
Volume
109
Category
Article
ISSN
0022-3654

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## Abstract We have studied the detailed reaction mechanism of iron and manganese superoxide dismutase with density functional calculations on realistic active‐site models, with large basis sets and including solvation, zero‐point, and thermal effects. The results indicate that the conversion of O