In this course the student will learn concepts of drug design and screening using chemoinformatics (ADMET), concepts of basic organic chemistry are reviewed to see functional groups, non-covalent interactions, force fields and exercises will be done to prepare files and run docking simulation with autodock and do analysis of results.

TEMARY

1. Presentation

2. Functional-groups-conformation-configuration

3. Physicochemical properties

4. ADMET Properties

5. Non-covalent-interactions

6. Scoring-Sampling-Function (energy exploration and calculation)

7. Preparation-Ligands-docking

8. Obtaining-target-for-docking

9. Install-autodock-adt-prepare-files

10. Continued-preparing-files for docking

11. Analysis of docking results

12. Continuation-analysis-docking-validation

13. Validation-docking

14. Final-docking-validation

15. FINAL ACTIVITY

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