Methods for computer-aided chemical biology. part 4: Selectivity searching for ion channel ligands and mapping of molecular fragments as selectivity markers

Chemical Biology and Drug Design

Volumn 73, Issue 3, 2009, Pages 273-282

  Ahmed, Hany E A ^a   Geppert, Hanna ^a   Stumpfe, Dagmar ^a   Lounkine, Eugen ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Chemical biology; Chemoinformatics; Compound selectivity; Computational analysis; Ionotropic glutamate ion channel antagonists; Molecular fragments; Structure selectivity relationships

Indexed keywords

ION CHANNEL; IONOTROPIC RECEPTOR ANTAGONIST;

ARTICLE; COMPUTER AIDED DESIGN; DATA BASE; FINGER DERMATOGLYPHICS; FRAGMENTATION REACTION; PERFORMANCE; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

COMPUTER-AIDED DESIGN; COMPUTING METHODOLOGIES; DRUG DESIGN; ION CHANNELS; LIGANDS; MOLECULAR STRUCTURE; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 60349100337     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00784.x     Document Type: Article

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