Many-Body Effects in Systems of Peptide Hydrogen-Bonded Networks and Their Contributions to Ligand Binding: A Comparison of the Performances of DFT and Polarizable Molecular Mechanics-Reference-Cited by-同舟云学术

Many-Body Effects in Systems of Peptide Hydrogen-Bonded Networks and Their Contributions to Ligand Binding: A Comparison of the Performances of DFT and Polarizable Molecular Mechanics

Published:2000-09-21 Issue:41 Volume:104 Page:9746-9754
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Guo Hong¹,Gresh Nohad¹,Roques Bernard P.¹,Salahub Dennis R.¹

Affiliation:

1. Centre de Recherche en Calcul Appliqué, Bureau 400, 5160, Boulevard Décarie, Montréal, Quebec H3X 2H9, Canada; Département de Pharmacochimie Moléculaire et Structurale, INSERM U266, CNRS UMR 8600, UFR des Sciences Pharmaceutiques and Biologiques, 4, Avenue de l'Observatoire, 75270 Paris Cedex 06, France; and Département de Chimie, Université de Montréal, C.P. 6128, succursale A, Montréal, Québec, Canada, and Steacie Institute for Molecular Sciences, National Research Council, 100 Sussex Drive, Ottawa,...

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/jp0012247

Reference79 articles.

1. Hydrogen Bonding in Biological Structures

2. (b) Scheiner, S.HydrogenBonding; Oxford University Press: New York, 1997.

3. Polarization model for water and its ionic dissociation products

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