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Automated docking of flexible ligands: applications of AutoDock. Export

J Mol Recognit, Vol. 9, No. 1. (b 1996), pp. 1-5.

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cepa docking programmi

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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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