Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase-Reference-Cited by-同舟云学术

Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase

Published:2002-08-31 Issue:38 Volume:106 Page:9934-9944
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Cummins Peter L.¹,Greatbanks Stephen P.¹,Rendell Alistair P.¹,Gready Jill E.¹

Affiliation:

1. Computational Proteomics and Therapy Design Group, John Curtin School of Medical Research, Australian National University, P.O. Box 334, Canberra ACT 2601, Australia, and Department of Computer Science, Faculty of Engineering and Information Technology, Australian National University, P.O. Box 334, Canberra ACT 2601, Australia

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/jp021070q

Reference60 articles.

1. Amara, P.; Field, M. J. InEncyclopaedia of Computational Chemistry; von Rogue Schleyer, P., Ed.; John Wiley: New York, 1998; p 431.

2. Quantum mechanical calculations on biological systems

3. Calibration of the Quantum/Classical Hamiltonian in Semiempirical QM/MM AM1 and PM3 Methods

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