A worldwide e-Infrastructure for NMR and structural biology

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Advanced methods for the integration of other structural data with NMR data

Aims of the course and expected impact for young researchers

The 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. Various methods based on the integration of NMR and SAXS data for the study of the dynamics of multidomain proteins will also be demonstrated.

Outline of course content

The Course will start at 2.30 pm on Monday 21st and will close at noon on Friday 25th.

Lectures - Integration of SAXS and NMR data for the analysis of protein structure/dynamics – Modeling of large multi-molecular complexes by integration of X-ray-crystallography, NMR, mass spectrometry and electron microscopy data - Data-driven protein docking - Automation in NMR data analysis - Molecular dynamics for NMR-based protein structure refinement - Data-driven structure assessment

Hands-on practicals (can be adjusted also depending on the availability of data from the attendees) - The AMPS-NMR portal for structure refinement - The HADDOCK portal for data-driven docking - The MAX-OCC portal for domain dynamics in multidomain proteins – Modeling of large multi-molecular complexes by integration of X-ray-crystallography, NMR, mass spectrometry and electron microscopy data – Protein structure validation.
Case studies will be provided via the web for re-examination also at the home lab

INSTRUCT is providing support for attendees from countries that formally joined INSTRUCT.

For applications send a CV to Dr. Antonio Rosato (rosato AT cerm.unifi.it).

Lecturers and Tutors. A.M. Bonvin (University of Utrecht); Giacomo Parigi (University of Florence); A. Rosato (University of Florence); H.J. Wolfson (Tel Aviv University). L. Ferella (University of Florence), E. Ravera (University of Florence).

Registration fee: 275 € (the registration fee is waived for attendees from countries that formally joined INSTRUCT ). The fee includes lunches and coffee breaks during the course, plus the social dinner. Up to twenty places are available. If necessary, participants will be selected among all applicants taking into account the following criteria: previous experience in the field of biomolecular NMR and structure biology; background in computer science; gender balance; relevance of current research to the course contents.

Deadline for application: October 31st, 2012


Antonio Rosato

Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858