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research article
Green oxidation catalysts: computational design of high-efficiency models of galactose oxidase
Ab initio calcns. were used for the rational design of efficient alc. oxidn. catalysts that mimic the enzyme galactose oxidase. Different ligand substitutions were explored based on natural (copper, depicted) and alternative (rhodium) metal redox centers. The calcd. turnover rate for the most efficient copper-based biomimetic compd. is greater than that of the natural enzyme. [on SciFinder (R)]
Type
research article
Web of Science ID
WOS:000222364100012
Authors
Publication date
2004
Published in
Volume
43
Issue
25
Start page
3286
End page
3289
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
February 27, 2006
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