Date: 30 June - 5 July 2019

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 you will work on a use case integrating the various topics above making use, among others, of the BioExcel flagship software (GROMACS, HADDOCK, PMX, CP2K).

Keywords: Quantum mechanics/molecular mechanics, QM/MM, metadynamics, free energy calculations, molecular docking

Organizer: European Bioinformatics Institute (EBI)

Capacity: 30

Event types:

  • Workshops and courses

Scientific topics: Biomolecular simulation


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