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Automated docking of flexible ligands: Applications of autodock (1996)

Goodsell, David S. ; Morris, Garrett M. ; Olson, Arthur J.

Chicester [u.a.] : Wiley-Blackwell

Journal of Molecular Recognition 9 (1996), S. 1-5

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ISSN: 0952-3499

Keywords: automated docking ; ligand ; receptor ; simulated annealing ; drug design ; Chemistry ; Biochemistry and Biotechnology

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Medicine

Notes: 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.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

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