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Full Screen- Title
- Anti Plagiarism Certificate
- Dedication
- Declaration
- Certificate
- Acknowledgement
- Contents
- List of Tables
- List of Figures
- Abbreviations
- List of Publications
- 1. Introduction and Objectives of the Thesis
- 2. Computational Chemistry Methods of Drug Discovery
- 3. Molecular Docking Studies of some Selected Flavonoidsagainst the Main protease of SARS-CoVs
- 4. Exploring the Inhibitory Activity of Dietary Flavonoidsagainst Main protease of SARS-CoV2 using MolecularDynamics and MM-PBSA Computations
- 5. Determining Flavonoids as Inhibitors againstTransmembrane protease (TMPRSS2) by utilizing Protein- Ligand Simulations and Free Energy Calculations
- 6. Molecular Docking, Molecular Dynamics and MM-PBSAStudies of Selected Flavonoids againstHuman ACE2 Viral Target
- 7. Conclusion and Scope of the Thesis
- Bibliography
- Appendices