The summer school will include lectures and hands-on sessions on the following topics:
- Molecular Dynamics simulations
- Biomolecular Docking
- 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, CPMD).
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.
After this course you should be able to:
- Use a range of biomolecular modeling and simulation software (GROMACS, HADDOCK, PMX, CPMD)
- Discuss current trends and challenges in biomolecular simulation
A detailed programme will be available soon
The summer school will include a poster session for participants to present their own research