Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches-Reference-Cited by-同舟云学术

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

Published:2000-02-03 Issue:8 Volume:104 Page:1720-1735
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Reuter Nathalie¹,Dejaegere Annick¹,Maigret Bernard¹,Karplus Martin¹

Affiliation:

1. Laboratoire de chimie théorique, U.M.R. C.N.R.S. 7565, Faculté des Sciences, UHP, Nancy I, Vandoeuvre-lès-Nancy Cédex, France, Groupe de RMN, U.P.R. 9003, Ecole Supérieure de Biotechnologie de Strasbourg, Boulevard Sébastien Brant, pôle API, 67 400 Strasbourg-Illkirch, France, Laboratoire de chimie biophysique, Institut Le Bel, ULP, 67 000 Strasbourg, France, and Department of Chemistry, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9924124

Reference43 articles.

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

2. Report for the joint CECAM-NSF planning meeting on hybrid quantum and classical mechanical methods for the simulation of biopolymers in solution (May 9-11, 1995)

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