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Advanced Gromacs, HADDOCK and PMX workshop

Wednesday, October 9, 2019 - 12:00 to Friday, October 11, 2019 - 13:00

The worshop will introduce HADDOCK, (High Ambiguity Driven protein-protein DOCKing) which is an information-driven flexible docking approach for the modeling of biomolecular complexes, and PMX which is a service for users who need to do free energy calculations. PMX utilizes the Gromacs classical molecular dynamics simulation engine to perform calculations at the background. The workshop also covers advanced usage of Gromacs itself in particular on HPC environment.

Learning goal: 

Biological researchers who want to learn more about the application of structural information in their work and how to use some of the key bioinformatics resources that are available.


CSC Training Facilities



Target group: