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J Mol Recognit. 1996 Jan-Feb;9(1):1-5.

Automated docking of flexible ligands: applications of AutoDock.

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  • 1Department of Molecular Biology, Scripps Research Institute, La Jolla, CA 92037, USA.

Abstract

AutoDock is a suite of C programs used to predict the bound conformations of a small, flexible ligand to a macromolecular target of known structure. The technique combines simulated annealing for conformation searching with a rapid grid-based method of energy evaluation. This paper reviews recent applications of the technique and describes the enhancements included in the current release.

PMID:
8723313
[PubMed - indexed for MEDLINE]
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