A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 3, 1999, Pages 243-258

  So, Sung Sau ^a,c   Karplus, Martin ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITÉ DE STRASBOURG   (France)

^c HOFFMANN LA ROCHE INC   (United States)

Author keywords

Binding affinity prediction; CoMFA; Genetic neural network; Glycogen phosphorylase inhibitor; QSAR; Structure based drug design

Indexed keywords

BINDING ENERGY; COMPLEX NETWORKS; COMPUTATIONAL CHEMISTRY; ENZYME ACTIVITY; LIGANDS; PHOSPHORYLATION;

BINDING AFFINITIES; BINDING AFFINITY PREDICTION; COMPARATIVE MOLECULAR FIELD ANALYSIS; GENETIC NEURAL NETWORK; GLYCOGEN PHOSPHORYLASE; GLYCOGEN PHOSPHORYLASE INHIBITORS; LIGAND-RECEPTOR COMPLEX; PREDICTION METHODS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; STRUCTURE BASED DRUG DESIGNS;

FORECASTING;

ANTIDIABETIC AGENT; GLYCOGEN PHOSPHORYLASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DIABETES MELLITUS; DRUG DESIGN; DRUG RECEPTOR BINDING; LIGAND BINDING; PRIORITY JOURNAL; SCORING SYSTEM; STRUCTURE ACTIVITY RELATION;

EID: 0033045557     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008073215919     Document Type: Article

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