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