Classical Polarization in Hybrid QM/MM Methods-Reference-Cited by-同舟云学术

Classical Polarization in Hybrid QM/MM Methods

Published:2006-05-01 Issue:20 Volume:110 Page:6487-6497
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Illingworth Christopher J. R.¹,Gooding Stuart R.¹,Winn Peter J.¹,Jones Garth A.¹,Ferenczy György G.¹,Reynolds Christopher A.¹

Affiliation:

1. Department of Biological Sciences, University of Essex, Wivenhoe Park, Colchester, CO4 3SQ, United Kingdom, and Department of General and Analytical Chemistry, Budapest University of Technology and Economics, Szt Gellért tér 4, Budapest, 1111-Hungary

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp046944i

Reference109 articles.

1. Computer modelling of enzyme catalysed reaction mechanisms

2. Computational enzymology

3. Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

4. Mechanisms of Antibiotic Resistance: QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin

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