Molecular scaffold-based design and comparison of combinatorial libraries focused on the ATP-binding site of protein kinases

Journal of Molecular Graphics and Modelling

Volumn 17, Issue 1, 1999, Pages 1-9

  Stahura, Florence L ^a   Xue, Ling ^a   Godden, Jeffrey W ^a   Bajorath, Jürgen ^b  

^a MDS Inc   (Canada)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Cluster analysis; Combinatorial chemistry; Computational docking; Molecular scaffolds; Protein kinase inhibitors; Target specific library design

Indexed keywords

ADENOSINE TRIPHOSPHATE; PROTEIN KINASE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; ENZYME BINDING; ENZYME SPECIFICITY; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN TARGETING;

ADENOSINE TRIPHOSPHATE; ALGORITHMS; BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DATABASES; DRUG DESIGN; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; SOFTWARE;

EID: 0033400589     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(99)00015-7     Document Type: Article

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