Khedr, Mohammed Abdou Computer-aided drug design and synthesis of novel antivirals. PhD Thesis, Cardiff University. The Flaviviridae is a family of 66 viruses of which almost half have been associated with human disease. Diseases caused by these viruses are a global health problem that put an estimated 2.
PhD in Medicinal and Natural Products Chemistry (MNPC)
PhD in Medicinal and Natural Products Chemistry (MNPC) | College of Pharmacy
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NOVEL ALGORITHMS AND TOOLS FOR LIGAND-BASED DRUG DESIGN
This dissertation thesis consists of a series of chapters that are interwoven by solving interesting biological problems, employing various computational methodologies. These techniques provide meaningful physical insights to promote the scientific fields of interest. Focus of chapter 1 concerns, the importance of computational tools like docking studies in advancing structure based drug design processes. This chapter also addresses the prime concerns like scoring functions, sampling algorithms and flexible docking studies that hamper the docking successes. Information about the different kinds of flexible dockings in terms of accuracy, time limitations and success studies are presented.
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