title: Fully flexible low-mode docking: application to induced fit in HIV integrase.
authors.affiliation: Computer Assisted Drug Discovery, Gedeon Richter Ltd., P.O. Box 27 H-1475, Budapest, Hungary.
authors.forename: G M
authors.initials: GM
authors.lastname: Keserû
authors.forename: I
authors.initials: I
authors.lastname: Kolossváry
mesh_terms: D000090:Acetoacetates / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D000465:Algorithms; D001665:Binding Sites; D020134:Catalytic Domain; D019427:HIV Integrase / Q000737:chemistry* / Q000378:metabolism; D019428:HIV Integrase Inhibitors / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D008958:Models, Molecular; D011487:Protein Conformation; D011758:Pyrroles / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D013816:Thermodynamics
chemical_list: D000090:Acetoacetates; D019428:HIV Integrase Inhibitors; C403886:L 731988; D011758:Pyrroles; D019427:HIV Integrase