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- W2397305809 abstract "The non-structural 3 protease is an essential flaviviral enzyme and therefore one of the most promising targets for drug development against West Nile virus infections. In this chapter, we discuss in detail the computational methods used in the previous two docking campaigns which lead to the discovery of non-peptidic low micromolar inhibitors. Not only an X-ray structure but also an alternative conformation generated from molecular dynamic simulations is used in the in silico screening. Moreover, unique scoring schemes are developed based on the properties of the binding site of the protein." @default.
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- W2397305809 creator A5061511759 @default.
- W2397305809 date "2011-11-24" @default.
- W2397305809 modified "2023-09-23" @default.
- W2397305809 title "High-Throughput Virtual Screening Lead to Discovery of Non-Peptidic Inhibitors of West Nile Virus NS3 Protease" @default.
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- W2397305809 doi "https://doi.org/10.1007/978-1-61779-465-0_36" @default.
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