Comprehensive model of wild-type and mutant HIV-1 reverse transciptases

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 8, 2012, Pages 907-919

  Ballante, Flavio ^a   Musmuca, Ira ^a   Marshall, Garland R ^a,b   Ragno, Rino ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

3 D QSAR; COMBINEr; DABO inhibitors; Drug resistance; HIV 1 reverse transciptase; Molecular modeling; NNRTI; PLS; RT mutants

Indexed keywords

COMPUTATIONAL CHEMISTRY; DRUG THERAPY; MOLECULAR DYNAMICS; MOLECULAR GRAPHICS; MOLECULAR MODELING; PHARMACODYNAMICS;

3-D-QSAR; COMBINER; DABO INHIBITOR; DRUG-RESISTANCE; HIV-1 REVERSE TRANSCIPTASE; NNRTI; PLS; RT MUTANT; TEST SETS; WILD TYPES;

LIGANDS;

EFAVIRENZ; NIVERAPINE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG;

ANALYTICAL ERROR; ARTICLE; CHIRALITY; COMPUTER MODEL; COMPUTER PROGRAM; ENZYME ANALYSIS; ENZYME SUBSTRATE COMPLEX; HUMAN IMMUNODEFICIENCY VIRUS 1; INFORMATION PROCESSING; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR RECOGNITION; MUTANT; NONHUMAN; PREDICTIVE VALUE; PRIORITY JOURNAL; PROCESS DEVELOPMENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE ALIGNMENT; VALIDATION PROCESS; WILD TYPE;

EID: 84867328543     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9586-6     Document Type: Article

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