This Practical Course co-organized by INSTRUCT and West-Life will introduce and make extensive use of user-friendly e-Science portals to facilitate the adoption of the methods and techniques by the participants in their everyday work. In particular, we will exploit the web-based, cloud-enabled services of the WeNMR and West-Life e-infrastructures, also in collaboration with the European Grid Initiative (EGI). West-Life is a H2020 EU project.
The hands-on sessions will allow the students to try the methods on either pre-packaged or their own research data.
The course will address state-of-the-art tools and facilities.
- Model building in electron maps
- Cryo-EM analysis of biomolecular assemblies
- Comparison and integration of techniques
- Data-driven docking
- Information-driven docking
- Design of small-molecule ligands
- MD refinement and simulations
- SAXS and NMR methods for IDPs
- Structure validation