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Docking-based virtual screening of large compound libraries has been widely applied to the early stage of lead discovery and is one of the most time-consuming steps in computer aided drug design.We have developed an automatic fragment-based drug design (FBDD) method, namely automatic tailoring and transplanting (AutoT&T), which can effectively utilize the outcomes of virtual screening for lead optimization based on the identification of suitable fragments on virtual screening hits via bond matching and then transplants them onto a lead compound to generate new ligand molecules.