Computer Simulation of Phenyl Ester Cleavage by β-Cyclodextrin in Solution
- 1 June 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 120 (24) , 6131-6137
- https://doi.org/10.1021/ja973799w
Abstract
No abstract availableKeywords
This publication has 52 references indexed in Scilit:
- Molecular Modelling of Saccharides, 9!! On the Hydrophobic Characteristics of Cyclodextrins: Computer‐Aided Visualization of Molecular Lipophilicity PatternsEuropean Journal of Organic Chemistry, 1996
- Computer Modeling of Phenyl Acetate Hydrolysis in Water and in Reaction with .beta.-Cyclodextrin: Molecular Orbital Calculations with the Semiempirical AM1 Method and the Langevin Dipole Solvent ModelThe Journal of Physical Chemistry, 1995
- Ab Initio Study of the Base-Catalyzed Hydrolysis of Methyl FormateThe Journal of Physical Chemistry, 1994
- Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approachesChemical Reviews, 1993
- Microscopic medium effects on a chemical reaction. A theoretical study of decarboxylation catalyzed by cyclodextrins as an enzyme modelJournal of the American Chemical Society, 1993
- A comparison of distance geometry and molecular dynamics simulation techniques for conformational analysis of ?-cyclodextrinJournal of Computational Chemistry, 1992
- Conformational differences between α-cyclodextrin in aqueous solution and in crystalline formJournal of Molecular Biology, 1988
- Evaluation of catalytic free energies in genetically modified proteinsJournal of Molecular Biology, 1988
- The mechanism of the cycloamylose-accelerated cleavage of phenyl estersJournal of the American Chemical Society, 1967
- Acceleration of phenyl ester cleavage by cycloamyloses. A model for enzymic specificityJournal of the American Chemical Society, 1967