Can an optimization/scoring procedure in ligand-protein docking be employed to probe drug-resistant mutations in proteins?

Journal of Molecular Graphics and Modelling

Volumn 19, Issue 6, 2001, Pages 560-570

  Chen, Y Z ^a   Gu, X L ^a   Cao, Z W ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Drug receptor interaction; Ligand protein interaction; Molecular mechanics of drug resistant mutation; Molecular modeling of resistant mutation

Indexed keywords

MUTATIONS;

CRYSTAL STRUCTURE; ENZYMES; FREE ENERGY; PROTEINS; SCREENING;

MOLECULAR GRAPHICS;

9 CHLORO 4,5,6,7 TETRAHYDRO 5 METHYL 6 (3 METHYL 2 BUTENYL)IMIDAZO[4,5,1 JK][1,4]BENZODIAZEPINE 2(1H) THIONE; AMPRENAVIR; BACTERIAL ENZYME; ENOYL ACYL CARRIER PROTEIN REDUCTASE; INDINAVIR; LIGAND; NEVIRAPINE; OXIDOREDUCTASE; PROTEIN; PROTEINASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; RO 318959; SAQUINAVIR; SB 203386; U 89360; UNCLASSIFIED DRUG; VIRUS ENZYME;

ARTICLE; COMPUTER PROGRAM; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG RECEPTOR BINDING; DRUG RESISTANCE; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTATION; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; SPONTANEOUS MUTATION;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG RESISTANCE, BACTERIAL; DRUG RESISTANCE, VIRAL; ENERGY TRANSFER; ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (NADH); HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HIV-1 REVERSE TRANSCRIPTASE; HUMANS; HYDROPHOBICITY; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTAGENESIS; MYCOBACTERIUM TUBERCULOSIS; OXIDOREDUCTASES; PROTEIN CONFORMATION; REVERSE TRANSCRIPTASE INHIBITORS;

HUMAN IMMUNODEFICIENCY VIRUS 1; MYCOBACTERIUM; MYCOBACTERIUM TUBERCULOSIS;

EID: 0034851803     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(01)00091-2     Document Type: Article

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