Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptase

Journal of Enzyme Inhibition and Medicinal Chemistry

Volumn 20, Issue 2, 2005, Pages 129-134

  Weinzinger, Philipp ^a   Hannongbua, Supa ^b   Wolschann, Peter ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b KASETSART UNIVERSITY   (Thailand)

Author keywords

Efavirenz; HIV 1 reverse transcriptase; Inhibition; Ligand binding energy; MM PBSA; Molecular dynamics

Indexed keywords

BENZOXAZINONE DERIVATIVE; EFAVIRENZ; RNA DIRECTED DNA POLYMERASE;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CORRELATION FUNCTION; DRUG BINDING SITE; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME INHIBITION; GEOMETRY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PREDICTION; PRIORITY JOURNAL; SIMULATION;

ADIPIC ACIDS; ANTI-HIV AGENTS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HISTIDINE; HIV-1 REVERSE TRANSCRIPTASE; HYDROGEN BONDING; LIGANDS; LYSINE; MODELS, CHEMICAL; MODELS, MOLECULAR; OXAZINES; PROTEIN BINDING; PROTEIN CONFORMATION; SUCCINATES;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 18444381185     PISSN: 14756366     EISSN: None     Source Type: Journal    
DOI: 10.1080/14756360400020520     Document Type: Article

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