Automated docking of flexible ligands: Applications of autodock
- 1 January 1996
- journal article
- review article
- Published by Wiley in Journal of Molecular Recognition
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.Keywords
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