Protein alpha shape similarity analysis (PASSA): A new method for mapping protein binding sites. Application in the design of a selective inhibitor of Tyrosine kinase 2

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 11, 2002, Pages 831-840

  Tøndel, Kristin ^a   Anderssen, Endre ^a   Drabløs, Finn ^b  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b SINTEF   (Norway)

Author keywords

3D QSAR; Alpha shapes; Drug design; Homology modelling; PLS; Proteins; Selectivity; Tyrosine kinase inhibitors

Indexed keywords

BINDING SITES; COMPUTATIONAL CHEMISTRY; ENZYMES;

3D-QSAR; ALPHA-SHAPES; DRUG DESIGN; HOMOLOGY MODELING; PLS; SELECTIVITY; SHAPE SIMILARITY; SIMILARITY ANALYSIS; TYROSINE KINASE; TYROSINE KINASE INHIBITOR;

AMINO ACIDS;

4 (3 CHLOROANILINO) 6,7 DIMETHOXYQUINAZOLINE; 6,7 DIMETHYL 2 PHENYLQUINOXALINE; AG 49; IMATINIB; JANUS KINASE; N BENZYL 2 CYANO 3 (3,4 DIHYDROXYPHENYL)ACRYLAMIDE; PROTEIN TYROSINE KINASE; PROTEIN TYROSINE KINASE INHIBITOR; TYRPHOSTIN;

ARTICLE; CONTROLLED STUDY; DRUG DESIGN; DRUG STRUCTURE; ENZYME INHIBITION; HYDROPHOBICITY; MATHEMATICAL COMPUTING; METHODOLOGY; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN DOMAIN; PROTEIN INTERACTION; PROTEIN STRUCTURE; STRUCTURAL HOMOLOGY; THREE DIMENSIONAL IMAGING;

EID: 0037499679     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023840914434     Document Type: Article

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