Docking enzyme-inhibitor complexes using a preference-based free-energy surface

Proteins: Structure, Function and Genetics

Volumn 25, Issue 4, 1996, Pages 403-419

  Wallqvist, A ^a   Covell, D G ^a  

^a SAIC FREDERICK INC   (United States)

Author keywords

HIV 1 protease inhibitor binding; macro molecular interactions; surface complementarity

Indexed keywords

1 (NAPHTHOXYACETYL)HISTIDYL(5 AMINO 6 CYCLOHEXYL 3,4 DIHYDROXY 2 ISOPROPYLHEXANOYL)ISOLEUCINE N (2 PYRIDYLMETHYL)AMIDE; A 74704; BMS 182193; DOCKING PROTEIN; ENZYME INHIBITOR; PD 134922; RO 85548E; RO 8959 R; UNCLASSIFIED DRUG;

ARTICLE; ENZYME INHIBITOR COMPLEX; ENZYME STRUCTURE; GEOMETRY; MATHEMATICAL MODEL; MOLECULAR INTERACTION; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; REPRODUCIBILITY;

ENZYME INHIBITORS; MODELS, CHEMICAL; PROTEIN BINDING; THERMODYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0029798563     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199608)25:4<403::AID-PROT1>3.0.CO;2-E     Document Type: Article

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