Here be dragons: Docking and screening in an uncharted region of chemical space

Journal of Biomolecular Screening

Volumn 10, Issue 7, 2005, Pages 667-674

  Brenk, Ruth ^a   Irwin, John J ^a   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Database preparation; High throughput screening; HTS; Molecular docking; Virtual screening

Indexed keywords

ASPARTIC ACID; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; FOLIC ACID; LIGAND; METHOTREXATE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DATA BASE; DRUG BINDING; DRUG STRUCTURE; ENZYME INHIBITION; ENZYME INHIBITOR INTERACTION; ENZYME STRUCTURE; HIGH THROUGHPUT SCREENING; HYDROGEN BOND; INFORMATION PROCESSING; MOLECULAR DOCKING METHOD; PKA; PREDICTION; PRIORITY JOURNAL; SCORING SYSTEM; STRUCTURE ANALYSIS;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DATABASES AS TOPIC; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; LIGANDS; MODELS, BIOLOGICAL; MODELS, CHEMICAL; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 23844456151     PISSN: 10870571     EISSN: 1552454X     Source Type: Journal    
DOI: 10.1177/1087057105281047     Document Type: Article

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