A 3D-QSAR-driven approach to binding mode and affinity prediction

Journal of Chemical Information and Modeling

Volumn 52, Issue 2, 2012, Pages 302-307

  Tosco, Paolo ^a   Balle, Thomas ^b  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; FORECASTING; MOLECULAR GRAPHICS;

3D-QSAR; BINDING MODES; CONSENSUS SCORING; DRUG CANDIDATES; STRUCTURAL KNOWLEDGE; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

COMPUTATIONAL CHEMISTRY;

DRUG; LIGAND;

ARTICLE; BINDING SITE; CHEMISTRY; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; LIGANDS; METHODS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84857554171     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200411s     Document Type: Conference Paper

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