Structure-guided expansion of kinase fragment libraries driven by support vector machine models

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1804, Issue 3, 2010, Pages 642-652

  Erickson, Jon A ^a   Mader, Mary M ^a   Watson, Ian A ^a   Webster, Yue W ^a   Higgs, Richard E ^a   Bell, Michael A ^a   Vieth, Michal ^a  

^a ELI LILLY AND COMPANY   (United States)

Author keywords

Binding mode prediction; De novo design; Fragment based drug design; Kinase inhibitor library; QSAR model; Structure based drug design

Indexed keywords

PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR;

ARTICLE; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; ENZYME ACTIVITY; ENZYME STRUCTURE; PHARMACOPHORE; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE;

ANIMALS; CRYSTALLOGRAPHY, X-RAY; HUMANS; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDE LIBRARY; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES;

EID: 75349107430     PISSN: 15709639     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbapap.2009.12.002     Document Type: Article

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