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Molecular orbital studies of reaction mechanism and transition state structures for GABA-transaminase

โœ Scribed by Peter R Andrews; Magdy Iskander; Graham P Jones; David A Winkler

Publisher
Elsevier Science
Year
1988
Tongue
French
Weight
863 KB
Volume
23
Category
Article
ISSN
0223-5234

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## Abstract A new computational scheme integrating __ab initio__ and molecular mechanics descriptions in different parts of the same molecule is presented. In contrast with previous approaches, this method is especially designed to allow the introduction of molecular mechanics corrections in full g