LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites-Reference-Cited by-同舟云学术

LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

Published:2003-01 Issue:4 Volume:21 Page:289-307
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Venkatachalam C.M.,Jiang X.,Oldfield T.,Waldman M.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference55 articles.

1. A. Krammer, P.D. Kirchhoff, J. Jiang, C.M. Venkatachalam, M. Waldman, LIGSCORE: a new scoring function to evaluate and prioritize ligands docked to protein active sites (in preparation patent pending).

2. Computer graphics in real-time docking with energy calculation and minimization;Pattabhiraman;J. Comp. Chem.,1985

3. Docking flexible ligands to macromolecular receptors by molecular shape;DesJarlais;J. Med. Chem.,1986

4. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure;DesJarlais;J. Med. Chem.,1988

5. Automated docking with grid-based energy evaluations;Meng;J. Comp. Chem.,1992

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