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Automated docking of flexible ligands: applications of AutoDock
D S Goodsell1, G M Morris, A J Olson
1Department of Molecular Biology, Scripps Research Institute, La Jolla, CA 92037, USA.
Journal of Molecular Recognition : JMR
|January 1, 1996
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.