PROLIX: Rapid mining of protein-ligand interactions in large crystal structure databases

Journal of Chemical Information and Modeling

Volumn 52, Issue 6, 2012, Pages 1450-1461

  Weisel, Martin ^a   Bitter, Hans Marcus ^a   Diederich, François ^b   So, W Venus ^a   Kondru, Rama ^a  

^a HOFFMANN LA ROCHE INC   (United States)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DATA MINING; DATABASE SYSTEMS; DRUG INTERACTIONS; LIGANDS; PROTEINS; USER INTERFACES;

BRANCH AND BOUND TECHNIQUES; FINGERPRINT REPRESENTATION; IMPLEMENTATION STRATEGIES; INTERACTION PATTERN; INTUITIVE INTERFACES; PROTEIN DATA BANK; PROTEIN-LIGAND INTERACTIONS; STRUCTURE BASED DRUG DESIGNS;

CRYSTAL STRUCTURE;

LIGAND; PROTEIN;

ARTICLE; CHEMISTRY; DRUG DESIGN; DRUG DEVELOPMENT; INFORMATION RETRIEVAL; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG DISCOVERY; INFORMATION STORAGE AND RETRIEVAL; LIGANDS; PROTEIN BINDING; PROTEINS;

EID: 84862847617     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300034x     Document Type: Article

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