Workshops and courses

ELIXIR node event BioExcel school on biomolecular simulations

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Date: 25 March - 1 April 2022

The course will include lectures and hands-on sessions on the following topics:

  • Molecular Dynamics simulations
  • Biomolecular Docking
  • Free energy calculations
  • Advanced sampling methods (Metadynamics)
  • BioExcel Building Blocks (BioBB)
  • Quantum mechanics/molecular mechanics (QM/MM)

During the hands-on computer practicals you will make use of the BioExcel flagship software and tools: e.g. GROMACS, HADDOCK, PMX, BioBB, and CP2K. The trainers, developers and/or experts in the use of the software, will provide guidance and support.

Keywords: Proteins (proteins), Structures (structures), 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, Molecular modelling, Molecular dynamics

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