Docking molecules by families to increase the diversity of hits in database screens: Computational strategy and experimental evaluation

Proteins: Structure, Function and Genetics

Volumn 42, Issue 2, 2001, Pages 279-293

  Su, Andrew I ^a,c   Lorber, David M ^a   Weston, G Scott ^a,d   Baase, Walter A ^b   Matthews, Brian W ^b   Shoichet, Brian K ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b UNIVERSITY OF OREGON   (United States)

^c SCRIPPS RESEARCH INSTITUTE   (United States)

^d ARQULE INC   (United States)

Author keywords

Database; Diversity; Docking; Inhibitor design; Inhibitor discovery; Screening

Indexed keywords

THYMIDYLATE SYNTHASE;

BINDING SITE; CONFERENCE PAPER; DATA BASE; ENZYME KINETICS; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN STRUCTURE; SCORING SYSTEM;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; ENZYME INHIBITORS; INFORMATION STORAGE AND RETRIEVAL; LIGANDS; TETRAHYDROFOLATE DEHYDROGENASE; THYMIDYLATE SYNTHASE;

EID: 0035254959     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-0134(20010201)42:2<279::AID-PROT150>3.0.CO;2-U     Document Type: Conference Paper

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