Rationalization of the performance and target dependence of similarity searching incorporating protein-ligand interaction information

Journal of Chemical Information and Modeling

Volumn 50, Issue 6, 2010, Pages 1042-1052

  Tan, Lu ^a   Batista, José ^a,b   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

^b JADO Technologies GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; LIGANDS; PROTEINS;

PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; RELATIVE PERFORMANCE; SEARCH PERFORMANCE; SIMILARITY SEARCH; SIMILARITY SEARCHING; THREE DIMENSIONAL (3D) INTERACTION; TWO DIMENSIONAL (2 D);

SEARCH ENGINES;

ENZYME INHIBITOR; LIGAND; PEPTIDE FRAGMENT; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG SCREENING; METABOLISM; METHODOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION;

DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; LIGANDS; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 77954051329     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1001197     Document Type: Article

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