The summer school will include lectures and hands-on sessions on the following topics (subject to change):
- Molecular dynamics simulations
- Biomolecular docking
- Free energy calculations
- Advanced sampling methods
- BioExcel Building Blocks (BioBB)
The summer school will include lectures on the following topics (subject to change):
- Quantum mechanics/molecular mechanics (QM/MM)
- Machine learning
During the hands-on practicals you will learn how to use the BioExcel flagship software: GROMACS, HADDOCK, PMX and BioBB. The trainers, developers and experts will provide guidance and support in using the software. The School is also a great opportunity to discuss your own research and build your professional network with other participants.
Target audience and prerequisites
- The BioExcel School is intended primarily for PhD and post-doctoral researchers using or planning to use biomolecular modeling and simulation in their everyday research.
- Familiarity with Linux and basic knowledge of molecular modelling software is a requirement.
- We can only accept participants from EuroHPC Joint Undertaking member institutions (unfortunately excluding the UK).
- We highly encourage applications from industrial entities, women and underrepresented groups.
