Atom-centered interacting fragments and similarity search applications

Journal of Chemical Information and Modeling

Volumn 50, Issue 1, 2010, Pages 79-86

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

^a JADO Technologies GmbH   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; LIGANDS; PROTEINS;

ACTIVE COMPOUNDS; DIFFERENT CLASS; G PROTEIN COUPLED RECEPTORS; INHIBITOR COMPLEX; PROTEIN-LIGAND INTERACTIONS; REFERENCE SET; SIMILARITY SEARCH; THREE-DIMENSIONAL INTERACTION;

CRYSTAL ATOMIC STRUCTURE;

ADENOSINE RECEPTOR; G PROTEIN COUPLED RECEPTOR; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DEVELOPMENT; ENZYME SPECIFICITY; HUMAN; METABOLISM; METHODOLOGY; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DRUG DISCOVERY; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, PURINERGIC P1; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 75749103721     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci9004223     Document Type: Article

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