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Of great interest in recent years has been computationally predicting the novel polypharmacology of drug molecules. Here, we applied an “induced-fit” protocol to improve the homology models of 5-HT2A ...

Abstract: The following sections are included: Introduction Compound Categories Natural products and derivatives Primary metabolites, co-substrates, co-factors, and marketed drugs Peptides and peptido ...

A library of 484 imidazole-based candidate inhibitors was tested against 24 protein kinases. The resulting activity data have been systematically analyzed to search for compounds that effectively ...