Comparative binding energy analysis of HIV-1 protease inhibitors: Incorporation of solvent effects and validation as a powerful tool in receptor-based drug design

Journal of Medicinal Chemistry

Volumn 41, Issue 6, 1998, Pages 836-852

  Pérez, Carlos ^a   Pastor, Manuel ^a   Ortiz, Angel R ^a   Gago, Federico ^a,b  

^a UNIVERSITY OF ALCALÁ   (Spain)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINASE INHIBITOR; RECEPTOR; SOLVENT;

ARTICLE; BINDING AFFINITY; CALCULATION; DRUG ACTIVITY; DRUG BINDING; DRUG DESIGN; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

DRUG DESIGN; HIV PROTEASE INHIBITORS; HIV-1; LIGANDS; MODELS, MOLECULAR; PREDICTIVE VALUE OF TESTS; RECEPTORS, CELL SURFACE; SOLVENTS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 0032510317     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm970535b     Document Type: Article

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