Advanced Structural Bioinformatics & Ligand-based approaches

Topics covered include ligand-based approaches such as, molecular simulation and data set construction, quantitative structure-activity relationships (QSAR), pharmacophore modeling and target phishing approaches. Furthermore, the course provides a focus on practical applications of advanced structural bioinformatics, such as, protein-protein interactions and docking, protein-DNA interactions, protein electrostatics and molecular dynamics simulations (MD). This list of topics is tentative and partially adaptable to the backgrounds and interests of the participants. This course comprises 3 credit hours (2 hrs Lecture + 2 hrs Practical session) 2.Topics to be covered:

• Protein-Protein docking.
• Protein-DNA interactions.
• Protein electrostatics · Molecular Dynamics simulations.
• Quantitative structure-activity relationships.
• Pharmacophore modeling.
• Target phishing approaches.
• Project (case study).