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On a possible invariance of a transition structure to the effects produced by ancillary H-bonding molecules: Modeling the effects of Ser-48 in the hydride-transfer step of liver alcohol dehydrogenase
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
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1996 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 57, no 2, 245-257 p.Article in journal (Other scientific) Published
Abstract [en]

The influence of a hydroxyl group simulating Ser-48 in the hydride-transfer step characteristic of liver alcohol dehydrogenase is studied on the hydride-transfer reaction as modeled by a methanolate anion interacting with a cycle propenyl cation. It is sh

Place, publisher, year, edition, pages
JOHN WILEY & SONS INC , 1996. Vol. 57, no 2, 245-257 p.
Keyword [en]
MEYER-SCHUSTER REACTION; STATE THEORY; ABINITIO MO; ENERGY HYPERSURFACES; CYCLOPROPENYL-CATION; CATALYTIC MECHANISM; COLLINEAR REACTIONS; ANALYTICAL GRADIENT; HYDROGEN MOLECULES; ELECTRONIC ASPECTS
Identifiers
URN: urn:nbn:se:uu:diva-75372OAI: oai:DiVA.org:uu-75372DiVA: diva2:103282
Note
Addresses: UNIV UPPSALA, DEPT PHYS CHEM, S-75121 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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