EOSC-hub WeNMR

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.

Topics:

• 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
• Bio-SAXS
• MD refinement and simulations
• SAXS and NMR methods for IDPs
• Structure validation