The physical nature of catalytic activity due to the molecular environment in terms of intermolecular interaction theory: derivation of simplified models
- 1 June 1985
- journal article
- Published by Elsevier in Journal of Molecular Catalysis
- Vol. 30 (3) , 395-410
- https://doi.org/10.1016/0304-5102(85)85049-5
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- A self-consistent field interaction energy decomposition study of 12 hydrogen-bonded dimersThe Journal of Physical Chemistry, 1983
- The active site electrostatic potential of human carbonic anhydraseJournal of the American Chemical Society, 1981
- Theoretical studies on substrate binding to the active site of carbonic anhydraseInternational Journal of Quantum Chemistry, 1979
- On the role of the active site helix in papain, an AB initio molecular orbital studyBiophysical Chemistry, 1979
- Approximate exchange perturbation study of intermolecular interactions in molecular complexesInternational Journal of Quantum Chemistry, 1978
- Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systemsJournal of Theoretical Biology, 1978
- Zur Anwendung gemischt elektrostatisch-quantenchemischer Modelle zur Beschreibung von Metallkomplexen mit AmidenMonatshefte für Chemie / Chemical Monthly, 1977
- Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeJournal of Molecular Biology, 1976
- Electrostatic potentials of proteins. 1. Carboxypeptidase AJournal of the American Chemical Society, 1976
- A simple model of solvation within the molecular orbital theoryChemical Physics Letters, 1975