Evaluating the potential of halogen bonding in molecular design: Automated scaffold decoration using the new scoring function xbscore

Journal of Chemical Information and Modeling

Volumn 55, Issue 3, 2015, Pages 687-699

  Zimmermann, Markus O ^a   Lange, Andreas ^a   Boeckler, Frank M ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPLEXATION; LIGANDS; PROTEINS; SCAFFOLDS (BIOLOGY);

AROMATIC CARBON; CARBONYL OXYGEN ATOMS; HALOGEN BONDING; HALOGENATED LIGANDS; MOLECULAR DESIGN; PROTEIN BACKBONE; PROTEIN-LIGAND COMPLEXES; SCORING FUNCTIONS;

HALOGEN COMPOUNDS;

HALOGEN; LIGAND; OXYGEN; PROTEIN;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DATA MINING; DRUG DEVELOPMENT; PROCEDURES; PROTEIN DATABASE; REPRODUCIBILITY;

DATA MINING; DATABASES, PROTEIN; DRUG DISCOVERY; HALOGENS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXYGEN; PROTEINS; REPRODUCIBILITY OF RESULTS;

EID: 84925434864     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5007118     Document Type: Article

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