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Computational Studies of the Mechanism for Proton and Hydride Transfer in Liver Alcohol Dehydrogenase

โœ Scribed by Agarwal, Pratul K.; Webb, Simon P.; Hammes-Schiffer, Sharon

Book ID
120931649
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
173 KB
Volume
122
Category
Article
ISSN
0002-7863

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Direct hydride transfer in the reaction
Direct hydride transfer in the reaction mechanism of quinoprotein alcohol dehydrogenases: a quantum mechanical investigation
โœ A. Jongejan; J. A. Jongejan; W. R. Hagen ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 333 KB ๐Ÿ‘ 1 views

## Abstract Oxidation of alcohols by direct hydride transfer to the pyrroloquinoline quinone (PQQ) cofactor of quinoprotein alcohol dehydrogenases has been studied using __ab initio__ quantum mechanical methods. Energies and geometries were calculated at the 6โ€31G(d,p) level of theory. Comparison o