QM−FE and Molecular Dynamics Calculations on Catechol O-Methyltransferase: Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction-Reference-Cited by-同舟云学术

QM−FE and Molecular Dynamics Calculations on Catechol O-Methyltransferase: Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction

Published:2000-03-01 Issue:11 Volume:122 Page:2586-2596
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Kuhn Bernd¹,Kollman Peter A.¹

Affiliation:

1. Contribution from the Department of Pharmaceutical Chemistry, University of California at San Francisco, San Francisco, California 94143-0446

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja992218v

Reference64 articles.

1. .alpha.-Deuterium and carbon-13 isotope effects for methyl transfer catalyzed by catechol O-methyltransferase. SN2-like transition state

2. Stereochemical course of the transmethylation catalyzed by catechol O-methyltransferase.

3. Methylase models: studies on general-base vs. nucleophilic catalysis in the intramolecular alkylation of phenols

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