Learning Outcomes
At the end of the course students will be able to:
- apply molecular mechanics software packages for thw study of molecular structure,
- study of the structure of biomolecules,
- apply ab initio and semiempirical metyhods.
Course Content (Syllabus)
Definition of molecular modeling. Molecular graphics. Molecular mechanics. Energy minimization. Conformational analysis. Study of biomolecules and polymers. Calculation and visualization of molecular properties with ab initio and semiempirical calculations. Molecular dynamics. The method of molecular docking.