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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
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- Cardenas, R (author)
- Uppsala universitet
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- Andres, J (author)
- Uppsala universitet
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- Krechi, J (author)
- Uppsala universitet
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- (creator_code:org_t)
- JOHN WILEY & SONS INC, 1996
- 1996
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - : JOHN WILEY & SONS INC. - 0020-7608. ; 57:2, s. 245-257
- Journal article (other academic/artistic)
Abstract
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- 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
Keyword
- MEYER-SCHUSTER REACTION; STATE THEORY; ABINITIO MO; ENERGY HYPERSURFACES; CYCLOPROPENYL-CATION; CATALYTIC MECHANISM; COLLINEAR REACTIONS; ANALYTICAL GRADIENT; HYDROGEN MOLECULES; ELECTRONIC ASPECTS
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- vet (subject category)
- art (subject category)
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