Molecular Dynamics Potential of Mean Force Calculations: A Study of the Toluene−Ammonium π-Cation Interactions-Reference-Cited by-同舟云学术

Molecular Dynamics Potential of Mean Force Calculations: A Study of the Toluene−Ammonium π-Cation Interactions

Published:1996-01-01 Issue:12 Volume:118 Page:2998-3005
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Chipot Christophe¹,Maigret Bernard¹,Pearlman David A.¹,Kollman Peter A.¹

Affiliation:

1. Contribution from the Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California 94143, Laboratoire de Chimie Théorique, Unité de Recherche Associée au CNRS No. 510, Université Henri Poincaré-Nancy I, BP. 239, 54506 Vandaeuvre-lès-Nancy Cedex, France, and Vertex Pharmaceuticals Incorporated, 40 Allston Street, Cambridge, Massachusetts 02139-4211

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja950302e

Reference73 articles.

1. A theoretical study of receptor site models for trimethylammonium group interaction

2. Nature of Anionic or α‐Site of Cholinesterase

3. Unconventional ionic hydrogen bonds. 2. NH+.cntdot..cntdot..cntdot..pi.. Complexes of onium ions with olefins and benzene derivatives

4. Amino-aromatic interactions in proteins

5. SIRIUS

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