Article
Analysis of HIV wild-type and mutant structures via in silico docking against diverse ligand libraries.
Journal of chemical information and modeling - 1 Jan 2000
Chang Max W, Lindstrom William, Olson Arthur J, Belew Richard K
Abstract excerpt
The FightAIDS@Home distributed computing project uses AutoDock for an initial virtual screen of HIV protease structures against a broad range of 1771 ligands including both known protease inhibitors and a diverse library of other ligands. The volume of results allows novel large-scale analyses of binding energy "profiles" for HIV structures. Beyond identifying potential lead compounds, these characterizations...
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