Loading Events

« All Events

  • This event has passed.

PRACE AUTUMN SCHOOL 2021 (online): Fundamentals of biomolecular simulations and virtual drug development, September 20-24, 2021

September 20, 2021 - September 24, 2021

The HPC Autumn School 2021: „Fundamentals of Biomolecular Modelling and Simulations for Applied Research and Virtual Drug Development” is organised by BioExcel Centre of ExcellenceSTFC Daresbury LaboratoryNCSA Bulgaria, and Sofia University and in partnership with AstraZeneca and NostrumBiodiscovery.

The week-long training event will provide an introduction to the fundamentals of modern methods for biomolecular simulations – molecular dynamics (MD), 3D QSAR, integrative modelling, free energy and hybrid-QM/MM calculations. Widely used software applications (GROMACS, HADDOCK, PMX, ChemShell) will be presented, and their usage on HPC facilities demonstrated.

The school program targets applied scientists, who have little experience with computational methodologies and High-Performance Computing (HPC). It will be suitable for junior researchers (post-graduates and post-docs) with a background in natural sciences and, in particular, pharmacy, biochemistry and biophysics. Participants from Central and Eastern Europe are especially welcome.

More information: here.


September 20, 2021
September 24, 2021