الفهرس 
Definition of drugsOnly 14 pages are availabe for public view
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Abstract
The entitled thesis ”Computational Simulation of the Effect of Quantum Chemical Parameters on the Molecular Docking of Some Drugs” comprises three chapters, introduction and literatures survey, computational methods and results and discussion. Also, it contains 49 Figures, 13 Tables and 244 references. CHAPTER I: (Introduction and literatures Survey). includes Cl literature survey on the computer assisted approaches to identify new inhibitors via pharmacophorc, molecular and dynamic modeling, quantum mechanics QM) and combined QM and molecular mechanic methods, docking, structural interaction fingerprints, grid technologies, virtual screening, and statistical learning methods that have been used to identify new inhibitors using large commercially available databases and highly selective and efficient programs. Also, it includes a literature survey on statins that have boosted the structure-based design of novel compounds, the molecular mode ling of statins and application of other computer-aided drug design techniques. Also, it concludes a literature survey on the recently published drugs which used to improve the HMG-CoA reductase inhibitory activity through a structure-based design.