It is a course that will offer concepts on structural bioinformatics ranging from concepts of omics, functional groups, protein structure, in addition to seeing concepts on molecular mechanics, quantum mechanics, molecular docking or ligand-protein docking, protein-protein, protein folding, molecular dynamics.  

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TEMARY

1. Description of amino acids: stereochemistry, nomenclature, physicochemical properties.

2. Proteomics and OMICS

3. Immuno-informatics concepts

4. Biotechnology Fundamentals (microarrays)

5. Bioinformatics statistics

6. Functional Groups, Atomic charges, conformation and configuration, LogP, Electronic and steric effects.

7. Chemical descriptors and QSAR

8. Drug design considering properties ADMET, virtual screening, PCAs and Drug screening workflow systems

9. Molecular mechanics (generalities) and Semi-empirical methods (generalities)

10. Quantum mechanics (general)

11. Protein-ligand docking

12. Macromolecular-macromolecule docking

13. Dendrimers, in silico studies

14. Basic Principles of Molecular Dynamics

15. Docking Workshop (Molecular coupling)

16. Molecular dynamics workshop with VMD-NAMD

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