Critical assessment of the automated AutoDock as a new docking tool for virtual screening

Proteins: Structure, Function and Genetics

Volumn 65, Issue 3, 2006, Pages 549-554

  Park, Hwangseo ^a   Lee, Jinuk ^b   Lee, Sangyoub ^b  

^a Sejong University   (South Korea)

^b Seoul National University   (South Korea)

Author keywords

AutoDock; Automation; Chemical database; Docking; Drug discovery; Virtual screening

Indexed keywords

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; 6 CYCLOHEXYLMETHOXY 2 (4 SULFAMOYLANILINO)PURINE; CYCLIN DEPENDENT KINASE 2; CYCLOOXYGENASE 2; PHOSPHODIESTERASE IV; PROTEIN; PROTEIN INHIBITOR; PROTEIN TYROSINE PHOSPHATASE 1B; ROFLUMILAST; UNCLASSIFIED DRUG;

ARTICLE; AUTOMATION; CHEMICAL DATA BASE; COMPLEX FORMATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DATA BASE; DIELECTRIC CONSTANT; DRUG BINDING SITE; HYDROGEN BOND; LIGAND BINDING; MATHEMATICAL MODEL; PRIORITY JOURNAL; SOLVATION;

3',5'-CYCLIC-AMP PHOSPHODIESTERASES; 3',5'-CYCLIC-NUCLEOTIDE PHOSPHODIESTERASE; ALGORITHMS; ANIMALS; BINDING SITES; CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, TYPE 4; CYCLIN-DEPENDENT KINASE 2; CYCLOOXYGENASE 2; ENZYME INHIBITORS; HUMANS; LIGANDS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1; PROTEIN TYROSINE PHOSPHATASES; PROTEIN-TYROSINE-PHOSPHATASE; PROTEINS; SOFTWARE;

EID: 33750083590     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21183     Document Type: Article

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