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Collect. Czech. Chem. Commun. 1989, 54, 1-17
https://doi.org/10.1135/cccc19890001

An MO cavity model of enzyme catalysis: Semiempirical calculations of reaction courses of acetaldehyde reduction and ethanol oxidation by an NAD model

Jiří Krechl and Josef Kuthan

Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6

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  • Brewster Marcus E., Doerge Daniel R., Huang Ming-Ju, Kaminski James J., Pop Emil, Bodor Nicholas: Application of semiempirical molecular orbital techniques to the study of peroxidase-mediated oxidation of phenols, anilines, sulfides and thiobenzamides. Tetrahedron 1991, 47, 7525. <https://doi.org/10.1016/S0040-4020(01)88277-6>