Stereostructure of (−)-Chloropeptin I, a Novel Inhibitor of gp120−CD4 Binding, via High- Temperature Molecular Dynamics, Monte Carlo Conformational Searching, and NMR Spectroscopy
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (51), 13087-13088
- https://doi.org/10.1021/ja963003d
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Chloropeptins I and II, novel inhibitors against gp120-CD4 binding from Streptomyces sp.The Journal of Antibiotics, 1994
- Potential-scaled molecular dynamics and potential annealing: effective conformational search techniques for biomoleculesThe Journal of Physical Chemistry, 1993
- AMBER torsional parameters for the peptide backboneTetrahedron Letters, 1992
- Conformational sampling using high‐temperature molecular dynamicsBiopolymers, 1990
- Different modes of vancomycin and D-alanyl-D-alanine peptidase binding to cell wall peptide and a possible role for the vancomycin resistance proteinAntimicrobial Agents and Chemotherapy, 1990
- Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanicsJournal of Computational Chemistry, 1990
- Improved spectral resolution in COSY 1H NMR spectra of proteins via double quantum filteringBiochemical and Biophysical Research Communications, 1983
- Structure of vancomycin and its complex with acetyl-D-alanyl-D-alanineNature, 1978
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977
- Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesJournal of Computational Physics, 1977