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
The Practical Course aims at training young researchers in the combined use of data from various structural techniques, such as SAXS, X-ray diffraction or EM, together with NMR data to achieve a deeper understanding of the structural properties of macromolecular systems, from individual proteins to macromolecular adducts. We will demonstrate various methods based on the integration of data from different structural techniques for the study of adducts between biological macromolecules, of protein-ligand interactions as well as of multi-domain proteins.
University of Florence, Scientific Campus, Sesto Fiorentino, Florence – Italy