Date: 22 - 26 June 2020

 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).

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

Organizer: European Bioinformatics Institute (EBI)

Target audience: The summer school is intended for researchers (primarily PhD and post-docs) using or planning to use biomolecular modeling and simulation in their everyday research. Familiarity with Linux and some basic knowledge of molecular modelling software is a requirement.

Capacity: 30

Event types:

  • Workshops and courses

Scientific topics: Molecular dynamics, Molecular modelling


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