Claeyssens, Frederik and Harvey, Jeremy N. and Manby, Frederick R. and Mata, Ricardo A. and Mulholland, Adrian J. and Ranaghan, Kara E. and Schuetz, Martin and Thiel, Stephan and Thiel, Walter and Werner, Hans-Joachim (2006) High-accuracy computation of reaction barriers in enzymes. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 45 (41). pp. 6856-6859. ISSN 1433-7851, 1521-3773
Full text not available from this repository. (Request a copy)| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | PARA-HYDROXYBENZOATE HYDROXYLASE; TRANSITION-STATE STABILIZATION; ELECTRON CORRELATION METHODS; CHORISMATE MUTASE REACTION; TRIPLES CORRECTION T; COMPUTER-SIMULATIONS; MOLECULAR-DYNAMICS; CATALYSIS; ab initio calculations; enzyme catalysis; QM/MM calculations; reaction mechanisms; transition-state theory |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 01 Mar 2021 07:49 |
| Last Modified: | 01 Mar 2021 07:49 |
| URI: | https://pred.uni-regensburg.de/id/eprint/35060 |
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