Hybrid ab Initio Quantum Mechanics/Molecular Mechanics Calculations of Free Energy Surfaces for Enzymatic Reactions: The Nucleophilic Attack in Subtilisin-Reference-Cited by-同舟云学术

Hybrid ab Initio Quantum Mechanics/Molecular Mechanics Calculations of Free Energy Surfaces for Enzymatic Reactions: The Nucleophilic Attack in Subtilisin

Published:1998-02-27 Issue:12 Volume:102 Page:2293-2301
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Bentzien J.¹,Muller R. P.¹,Florián J.¹,Warshel A.¹

Affiliation:

1. Department of Chemistry, University of Southern California, Los Angeles, California 90089-1062

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp973480y

Reference34 articles.

1. An empirical valence bond approach for comparing reactions in solutions and in enzymes

2. Computer simulation of the initial proton transfer step in human carbonic anhydrase I

3. Computer Simulation of the Triosephosphate Isomerase Catalyzed Reaction

4. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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