Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitors

Journal of Molecular Graphics and Modelling

Volumn 15, Issue 6, 1997, Pages 364-371

  Pastor, Manuel ^a   Pérez, Carlos ^a   Gago, Federico ^a  

^a UNIVERSITY OF ALCALÁ   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; COMPUTER SIMULATION; CORRELATION METHODS; LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; REGRESSION ANALYSIS;

HIV 1 PROTEASE; LIGAND ORIENTATION; PSEUDOSYMMETRICAL BINDING CAVITY;

ENZYME INHIBITION;

PROTEINASE INHIBITOR;

ARTICLE; LIGAND BINDING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION;

ARTIFICIAL INTELLIGENCE; COMPUTER GRAPHICS; COMPUTER SIMULATION; FORECASTING; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; MODELS, MOLECULAR; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0031350122     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(98)00007-2     Document Type: Article

References (11)

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