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Molecular orbital studies of enzyme mechanisms: the catalytic oxidation of alcohols by liver alcohol dehydrogenase

✍ Scribed by AndreasRitter von Onciul; Timothy Clark


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
255 KB
Volume
11
Category
Article
ISSN
0263-7855

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## Abstract Semiempirical (AM1) molecular orbital theory has been used to investigate the oxidation of alcohols at the active site of liver alcohol dehydrogenase (LADH). The model active site consists of a zinc dication coordinated to two methyl‐mercaptans (Cys‐46, Cys‐176), an imidazole (His‐67),

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