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Review
. 1996 Jan-Feb;9(1):1-5.
doi: 10.1002/(sici)1099-1352(199601)9:1<1::aid-jmr241>3.0.co;2-6.

Automated docking of flexible ligands: applications of AutoDock

D S Goodsell  1 , G M Morris, A J Olson
Affiliations
Review

Automated docking of flexible ligands: applications of AutoDock

D S Goodsell et al. J Mol Recognit. 1996 Jan-Feb.

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.

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