Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase

Journal of Medicinal Chemistry

Volumn 51, Issue 9, 2008, Pages 2648-2656

  Carlsson, Jens ^a   Boukharta, Lars ^a   Åqvist, Johan ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; AUTOMATION; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; METHODOLOGY; MOLECULAR DYNAMICS; SCORING SYSTEM;

AMINOPYRIDINES; BINDING SITES; DRUG DESIGN; HIV REVERSE TRANSCRIPTASE; HIV-1; MODELS, MOLECULAR; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS; THERMODYNAMICS;

EID: 42949174603     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm7012198     Document Type: Article

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