QM-FE Calculations of Aliphatic Hydrogen Abstraction in Citrate Synthase and in Solution: Reproduction of the Effect of Enzyme Catalysis and Demonstration that an Enolate Rather than an Enol Is Formed-Reference-Cited by-同舟云学术

QM-FE Calculations of Aliphatic Hydrogen Abstraction in Citrate Synthase and in Solution: Reproduction of the Effect of Enzyme Catalysis and Demonstration that an Enolate Rather than an Enol Is Formed

Published:2000-11-18 Issue:49 Volume:122 Page:12270-12280
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Donini Oreola¹,Darden Tom¹,Kollman Peter A.¹

Affiliation:

1. Contribution from the Department of Pharmaceutical Chemistry, University of California at San Francisco, San Francisco, CA, 94143-0446, and Laboratory of Structural Biology, NIEHS, National Institutes of Health, Research Triangle Park, North Carolina 27709

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja001043i

Reference51 articles.

1. Study Implicates Second-Hand Smoke

2. Understanding the rates of certain enzyme-catalyzed reactions: Proton abstraction from carbon acids, acyl transfer reactions, and displacement reactions of phosphodiesters

3. Electrophilic catalysis can explain the unexpected acidity of carbon acids in enzyme-catalyzed reactions

4. An explanation for rapid enzyme-catalyzed proton abstraction from carbon acids: importance of late transition states in concerted mechanisms

5. Do Enzymes Stabilize Transition States by Electrostatic Interactions or pKa Balance: The Case of Triose Phosphate Isomerase (TIM)?

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