The 4D-QSAR paradigm: Application to a novel set of nonpeptidic HIV protease inhibitors

Quantitative Structure-Activity Relationships

Volumn 21, Issue 4, 2002, Pages 369-381

  Santos Filho, Osvaldo A ^a   Hopfinger, Anton J ^b  

^a Centro de Tecnologia   (Brazil)

^b UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

4D QSAR; Computer assisted molecular design; Inhibitors of HIV protease; Molecular simulation; QSAR

Indexed keywords

ALIGNMENT; COMPUTATIONAL CHEMISTRY; COMPUTER AIDED DESIGN; DIGITAL LIBRARIES; GENETIC ALGORITHMS; LEAST SQUARES APPROXIMATIONS; LIBRARIES; LIGANDS; MOLECULAR GRAPHICS; STRUCTURAL DESIGN; THREE DIMENSIONAL COMPUTER GRAPHICS;

4D-QSAR; COMPUTER ASSISTED; COMPUTER-ASSISTED MOLECULAR DESIGN; DESCRIPTORS; HIV-PROTEASE; INHIBITOR OF HIV PROTEASE; MOLECULAR DESIGN; MOLECULAR SIMULATIONS; QSAR; QSAR ANALYSIS;

CONFORMATIONS;

LIGAND; PROTEINASE INHIBITOR;

ANALYTIC METHOD; ARTICLE; DRUG CONFORMATION; DRUG DESIGN; DRUG RECEPTOR BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR OCCUPANCY;

EID: 0036793298     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200210)21:4<369::AID-QSAR369>3.0.CO;2-1     Document Type: Article

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