A worldwide e-Infrastructure for NMR and structural biology

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NMR-driven computational structural biology

Our research interest is in Nuclear Magnetic Resonance (NMR) experiment-driven modeling of biological macromolecules and protein assemblies.

The research focuses on the development of mathematical, physical and biochemical models for analyzing, solving and understanding problems concerning the accurate and objective interpretation of NMR spectra acquired for biological macromolecular systems.

The research objectives aim at providing the most direct link possible between multi-dimensional NMR spectroscopy (NMR only provides indirect biomolecular fingerprints) and three-dimensional protein structure and dynamics in order to obtain an accurate, efficient and reproducible structural and functional description of biological macromolecules or macromolecular complexes at atomic and time-resolved resolution.

Over more than a decade of innovative research we have developed unsupervised, sophisticated computational data analysis models and protocols for NMR experiment-driven molecular modeling (see Research: UNIO, MATCH, ASCAN, ATNOS and CANDID) that have been successfully applied in thousands of NMR structure determination projects (approx. 20% of all NMR structures determined). Academic and industrial software licenses have been distributed to and are presently used in more than 500 NMR research laboratories and structural biology centers world-wide.



Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, 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, South Africa, Malaysia, 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