Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method

Journal of Medicinal Chemistry

Volumn 41, Issue 26, 1998, Pages 5272-5286

  Smith Jr , Richard H ^a   Jorgensen, William L ^a   Tirado Rives, Julian ^b   Lamb, Michelle L ^b   Janssen, Paul A J ^c   Michejda, Christopher J ^c   Kroeger Smith, Marilyn B ^d  

^a WESTERN MARYLAND COLLEGE   (United States)

^b NATIONAL CANCER INSTITUTE   (United States)

^c YALE UNIVERSITY   (United States)

^d JANSSEN RESEARCH FOUNDATION   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BENZODIAZEPINE DERIVATIVE; RNA DIRECTED DNA POLYMERASE INHIBITOR; TETRAHYDROIMIDAZO[4,5,1 JK][1,4]BENZODIAZEPINE 2(1H) THIONE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG BINDING; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; NONHUMAN; PREDICTION; STRUCTURE ANALYSIS; SYSTEM ANALYSIS;

ANTI-HIV AGENTS; BENZODIAZEPINES; BINDING SITES; HIV-1 REVERSE TRANSCRIPTASE; HYDROGEN BONDING; IMIDAZOLES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; REVERSE TRANSCRIPTASE INHIBITORS;

EID: 20644437755     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm9804174     Document Type: Article

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