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The protein kinase family is an attractive target for new therapies, and compound libraries focused toward kinases have become important starting points in screening campaigns. Herein we report an integrated procedure that combines a 2D ligand-based selection procedure with 3D structure-based virtual screening to provide a tool to select target-family-focused compound sets. We evaluated the resulting selection by testing a small set of compounds in a kinase inhibition assay.
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Decornez et al. (2009) studied this question.
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