Ab Initio QM/MM Study of the Citrate Synthase Mechanism. A Low-Barrier Hydrogen Bond Is not Involved-Reference-Cited by-同舟云学术

Ab Initio QM/MM Study of the Citrate Synthase Mechanism. A Low-Barrier Hydrogen Bond Is not Involved

Published:2000-01-01 Issue:3 Volume:122 Page:534-535
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Mulholland Adrian J.¹,Lyne Paul D.¹,Karplus Martin¹

Affiliation:

1. Department of Chemistry and Chemical Biology Harvard University, Cambridge, Massachusetts 02138 School of Chemistry, University of Bristol Bristol BS8 1TS, UK

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja992874v

Reference19 articles.

1. Simulations of enzymic reactions

2. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

3. Correlation of Calculated Activation Energies with Experimental Rate Constants for an Enzyme Catalyzed Aromatic Hydroxylation

4. Mulholland, A. J.; Richards, W. G.Proteins: Struct., Funct., Genet.1997,27, 9−25.

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