Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

Daniel K. Gehlhaar; Gennady M. Verkhivker; Paul A. Rejto; Christopher J. Sherman; David R. Fogel; Lawrence J. Fogel; Stephan T. Freer

doi:10.1016/1074-5521(95)90050-0

Keywords

Docking (animal)Steric effectsHydrogen bondSearching the conformational space for dockingProtein–ligand dockingHIV-1 proteaseCrystallographyLigand (biochemistry)ChemistryStereochemistryIntermolecular forceMolecular dynamicsProtein structureComputational chemistryMoleculeProteaseVirtual screeningBiochemistryEnzyme

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Publication Info

Year: 1995
Type: article
Volume: 2
Issue: 5
Pages: 317-324
Citations: 678
Access: Closed

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APA Style

                            
                                
                                    Daniel K. Gehlhaar, 
                                
                                    Gennady M. Verkhivker, 
                                
                                    Paul A. Rejto
                                
                                et al.
                            
                            (1995). 
                            Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. 
                            Chemistry & Biology
                            , 2
                            (5)
                            , 317-324.
                            https://doi.org/10.1016/1074-5521(95)90050-0
                        

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DOI: 10.1016/1074-5521(95)90050-0