Rational approaches for the design of effective human immunodeficiency virus type 1 nonnucleoside reverse transcriptase inhibitors

Journal of Chemical Information and Modeling

Volumn 51, Issue 1, 2011, Pages 130-138

  Ribone, Sergio R ^a   Quevedo, Mario A ^a   Madrid, Marcela ^a   Briñón, Margarita C ^b  

^a UNIVERSIDAD NACIONAL DE CÓRDOBA   (Argentina)

^b PITTSBURGH SUPERCOMPUTING CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DRUG INTERACTIONS; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; VAN DER WAALS FORCES; VIRUSES;

ENERGY DECOMPOSITION; FREE ENERGY ANALYSIS; HUMAN IMMUNODEFICIENCY VIRUS TYPE-1; LINEAR RELATIONSHIPS; MOLECULAR DYNAMICS TRAJECTORIES; NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS; QUANTITATIVE APPROACH; REVERSE TRANSCRIPTASES;

DISEASES;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; DRUG DERIVATIVE; NEVIRAPINE; REVERSE TRANSCRIPTASE, HUMAN IMMUNODEFICIENCY VIRUS 1; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; SOLVENT; THIOUREA;

ARTICLE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; DRUG EFFECT; ENZYMOLOGY; GENETICS; HUMAN IMMUNODEFICIENCY VIRUS 1; IC 50; METABOLISM; MOLECULAR DYNAMICS; MUTATION; PROTEIN CONFORMATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ANTI-HIV AGENTS; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HIV REVERSE TRANSCRIPTASE; HIV-1; INHIBITORY CONCENTRATION 50; MOLECULAR DYNAMICS SIMULATION; MUTATION; NEVIRAPINE; PROTEIN CONFORMATION; REVERSE TRANSCRIPTASE INHIBITORS; SOLVENTS; THERMODYNAMICS; THIOUREA;

EID: 79952608410     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1001636     Document Type: Article

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