Computing the Role of Near Attack Conformations in an Enzyme-Catalyzed Nucleophilic Bimolecular Reaction-Reference-Cited by-同舟云学术

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Computing the Role of Near Attack Conformations in an Enzyme-Catalyzed Nucleophilic Bimolecular Reaction

Published:2014-12-02 Issue:1 Volume:11 Page:316-324
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sadiq S. Kashif¹,Coveney Peter V.²

Affiliation:

1. Infection Biology Unit, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C/Doctor Aiguader 88, 08003 Barcelona, Spain

2. Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom

Funder

amfAR, The Foundation for AIDS Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct5008845

Reference67 articles.

1. Molecular Architecture and Biological Reactions

2. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

3. The Application of the Theory of Absolute Reacton Rates to Proteins.

4. Quantum Mechanics/Molecular Mechanics Studies of Triosephosphate Isomerase-Catalyzed Reactions: Effect of Geometry and Tunneling on Proton-Transfer Rate Constants

5. Atomic Description of an Enzyme Reaction Dominated by Proton Tunneling

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