The summer school will include lectures and hands-on sessions on the following topics:
- Molecular Dynamics simulations
- Biomolecular Docking
- Free energy calculations
- Advanced sampling methods (metadynamics)
During the hands-on computer practicals you will work on a use case integrating the various topics above making use, among others, of the BioExcel flagship software (Gromacs, HADDOCK, PMX, CPMD).