| MATHEMATICS (TURKISH, PHD) | |||||
| PhD | TR-NQF-HE: Level 8 | QF-EHEA: Third Cycle | EQF-LLL: Level 8 | ||
| Course Code | Course Name | Semester | Theoretical | Practical | Credit | ECTS |
| MED3029 | Understanding Drug-Receptor Interactions | Fall | 2 | 0 | 2 | 2 |
| The course opens with the approval of the Department at the beginning of each semester |
| Language of instruction: | En |
| Type of course: | Departmental Elective |
| Course Level: | |
| Mode of Delivery: | Face to face |
| Course Coordinator : | Prof. Dr. SERDAR DURDAĞI |
| Course Objectives: | Understanding of Drug-Receptor Interactions provides an introduction into modeling and simulation approaches specially for drug-receptor interactions. Standard molecular simulations tools will be introduced. Basic principles of molecular docking, and molecular dynamics (MD) simulations for drug/receptor systems will be given. |
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The students who have succeeded in this course; 1. Understand the basic principles and concepts of molecular docking, molecular dynamics simulations, and computer-aided drug discovery 2. Set up and run their own protein-ligand systems on docking and MD simulations on personal computers 3. Perform and understand the interpretation of basic (statistical) analysis techniques on the resulting molecular docking and MD trajectories 4. Perform and understand the results of a virtual screening experiment |
| 1. Introduction to Molecular Docking Simulations (theory) 2. Introduction to Molecular Docking Simulations (application) 3. Introduction to MD simulations for drug/receptor systems-part1 4. Introduction to MD simulations for drug/receptor systems-part2 5. MD simulations (application) 6. MD simulations (application) 7. Post-processing MD simulations (theory) 8. Post-processing MD simulations (application) 9. Student project-1 10. Student project-2 11. Student project-3 |
| Week | Subject | Related Preparation |
| Course Notes: | Molecular Modelling: Principles and Applications, by Andrew Leach http://www.amazon.com/Molecular-Modelling-Applications-Andrew-Leach/dp/0582239338 Molecular Modeling and Simulation, by Tamar Schlick http://www.amazon.com/Molecular-Modeling-Simulation-Tamar-Schlick/dp/038795404X |
| References: | Introduction to Protein Structure: Second Edition, by Carl Branden and John Tooze http://www.amazon.com/Introduction-Protein-Structure-Carl-Branden/dp/0815323050 |
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