Stereostructure of (−)-Chloropeptin I, a Novel Inhibitor of gp120−CD4 Binding, via High- Temperature Molecular Dynamics, Monte Carlo Conformational Searching, and NMR Spectroscopy-Reference-Cited by-同舟云学术

Stereostructure of (−)-Chloropeptin I, a Novel Inhibitor of gp120−CD4 Binding, via High- Temperature Molecular Dynamics, Monte Carlo Conformational Searching, and NMR Spectroscopy

Published:1996-01-01 Issue:51 Volume:118 Page:13087-13088
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Gouda Hiroaki,Matsuzaki Keiichi,Tanaka Haruo,Hirono Shuichi,Ōmura Satoshi¹,McCauley John A.,Sprengeler Paul A.,Furst George T.,Smith Amos B.

Affiliation:

1. Research Center for Biological Function, The Kitasato Institute, and School of Pharmaceutical Sciences Kitasato University, Minato-ku, Tokyo 108, Japan

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja963003d

Reference15 articles.

1. Chloropeptins I and II, novel inhibitors against gp120-CD4 binding from Streptomyces sp.

2. Conformational sampling using high-temperature molecular dynamics

3. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

4. Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

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