Three-dimensional protein-ligand interaction scaling of two-dimensional fingerprints

Chemical Biology and Drug Design

Volumn 74, Issue 5, 2009, Pages 449-456

  Tan, Lu ^a   Vogt, Martin ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

2D fingerprints; Fingerprint scaling; Interacting ligand fragments; Protein ligand interactions; Similarity searching; X ray structures

Indexed keywords

LIGAND;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ENZYME STRUCTURE; FINGER DERMATOGLYPHICS; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; THREE DIMENSIONAL IMAGING;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DELIVERY SYSTEMS; ENZYME INHIBITORS; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEINS;

EID: 70349737903     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00890.x     Document Type: Article

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