Registration for this event is closed
Our second Ambassador Program workshop is jointly organised and supported by our colleagues at the National Competence Centres in Portugal, France, Spain and Ireland. The hands-on 2.5-day workshop is aimed at Ph.D. students and post-docs and will be a hybrid (on-site/online) event focusing on the use of BioExcel core codes: GROMACS, HADDOCK, PMX and BioBB; and will also include an Alphafold tutorial.
Date: 26 – 28 November 2024
Venue: Coimbra, Portugal
Participation: Open application with a selection. 40 applicants will be selected for on-site participation. Applicants from Portugal, France, Spain and Ireland will be prioritised for on-site participation. We can only accept participants from EuroHPC Joint Undertaking member institutions.
Registration fee: €60 on-site (free online)
Program:
- Molecular Dynamics Simulations:
- Focus on GROMACS, including membrane-protein simulations;
- Performing alchemical transformations with GROMACS (e.g., solvation free energy calculations);
- GROMACS performance optimization.
- Biomolecular Docking:
- Using HADDOCK modeling Antigen-Antibody and Protein-DNA interactions.
- Free Energy Calculations:
- Advanced methods for calculating amino acid mutations and more.
- AlphaFold Tutorials:
- Practical sessions for hands-on sessions covering both AlphaFold2 and AlphaFold3.
- BioBB Workshop:
- Protein conformational transitions, calculations, and automatic ligand parameterization.
Participants will receive personalized guidance from software developers and experts throughout the workshop. On-site attendees will enjoy enhanced support and in-person interaction with the trainers. Please note that online attendees will have access to the lectures, but additional support will not be available in the virtual format.
