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The catalytic activity of xanthine oxidase: Mechanistic insights through computer modelling
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UNSPECIFIED (1997) The catalytic activity of xanthine oxidase: Mechanistic insights through computer modelling. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (8). pp. 1267-1268. ISSN 0300-9246.
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Abstract
The catalytic cycle for substrate oxidation at the molybdenum centre of xanthine oxidase has been modelled with density functional theory; using our previously developed active-site model plus formaldehyde as substrate, the structures and relative energies of intermediate and transition-state species have been employed to examine the key issues of active-site conformation, the role of Mo-C interactions and the identity of the transferred oxygen.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry | ||||
Journal or Publication Title: | JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | ||||
Publisher: | ROYAL SOC CHEMISTRY | ||||
ISSN: | 0300-9246 | ||||
Official Date: | 21 April 1997 | ||||
Dates: |
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Number: | 8 | ||||
Number of Pages: | 2 | ||||
Page Range: | pp. 1267-1268 | ||||
Publication Status: | Published |
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