Automated docking of flexible ligands: Applications of autodock

Journal of Molecular RecognitionVolume 9, Issue 1 p. 1-5 Article Automated docking of flexible ligands: Applications of autodock David S. Goodsell, David S. Goodsell Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this authorGarrett M. Morris, Garrett M. Morris Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this authorArthur J. Olson, Corresponding Author Arthur J. Olson Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this author David S. Goodsell, David S. Goodsell Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this authorGarrett M. Morris, Garrett M. Morris Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this authorArthur J. Olson, Corresponding Author Arthur J. Olson Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, U.S.A.Search for more papers by this author First published: January/February 1996 https://doi.org/10.1002/(SICI)1099-1352(199601)9:1<1::AID-JMR241>3.0.CO;2-6Citations: 1,081AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat 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. References Blaney, J. M. and Dixon, J. S. (1993) A good ligand is hard to find: automated docking methods. Persp. Drug Discov. Design. 1, 301–319. Chothia, C. (1974) Hydrophobic bonding and accessible surface area in proteins. Nature 248, 338–339. Eisenberg, D. and McLachlan, A. D. (1986) Solvation energy in protein folding and binding. Nature 319, 199–203. Friedman, A. R., Roberts, V. A. and Tainer, J. A. 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