Encoding protein-ligand interaction patterns in fingerprints and graphs

Journal of Chemical Information and Modeling

Volumn 53, Issue 3, 2013, Pages 623-637

  Desaphy, Jérémy ^a   Raimbaud, Eric ^b   Ducrot, Pierre ^b   Rognan, Didier ^a  

^a Faculté de Pharmacie   (France)

^b INSTITUT DE RECHERCHES SERVIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT; ATOMS; GRAPH ALGORITHMS; HYDROGEN BONDS; LIGANDS; METAL COMPLEXES; PROTEINS; SCAFFOLDS (BIOLOGY); SIGNAL ENCODING;

CLIQUE DETECTIONS; GAUSSIAN FUNCTIONS; INTERACTION PATTERN; INTERMOLECULAR INTERACTIONS; INVARIANT INTERACTION; METAL COMPLEXATION; PROTEIN-LIGAND COMPLEXES; VIRTUAL SCREENING;

COMPLEXATION;

LIGAND; PEPTIDE FRAGMENT; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; METHODOLOGY; NORMAL DISTRIBUTION; NUCLEOTIDE SEQUENCE; PEPTIDE MAPPING; PROTEIN BINDING; PROTEIN CONFORMATION; RECEIVER OPERATING CHARACTERISTIC; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; CONSERVED SEQUENCE; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; NORMAL DISTRIBUTION; PEPTIDE FRAGMENTS; PEPTIDE MAPPING; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; ROC CURVE;

EID: 84875479590     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300566n     Document Type: Article

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