A worldwide e-Infrastructure for NMR and structural biology

Alexandre Bonvin (Utrecht Universtity, Faculty of Science - Chemistry, Bijvoet Center)

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Utrecht Universtity, Faculty of Science - Chemistry, Bijvoet Center
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Utrecht University (UU) is amongst Europe's leading research universities, renowned for both its innovative cross-disciplinary approach to research, and its emphasis on excellent quality in education. It is ranked first in the Netherlands and 13th in Europe according to the Shanghai ARWU 2012 ranking. In the area of natural sciences and mathematics, the university is ranked 9th in Europe and 42nd in the world. Each year over 7.000 scientific publications are published in peer reviewed journals and around 450 PhD students obtain their degree.

The Bonvin group belongs to the Chemistry Department of the Faculty of Science, and is part of the Bijvoet Center for Biomolecular Research. The Bijvoet Center for Biomolecular Research at Utrecht University in the Netherlands is a research institute dedicated to understanding the structure and the function of biomolecules that are involved in recognition, interaction, and regulatory processes. Itis the main hub for structural biology in the Netherlands, and maintains world-leading infrastructures in advanced mass spectrometry, high-resolution liquid-state and solid-state NMR spectroscopy, cryo-electron microscopy and X-ray crystallography to analyse the structure of biomolecules.

The Bonvin research group has an excellent computational infrastructure (among others three Linux clusters for a total of ~1600 CPU cores) and has access to over 60,000 CPU cores as part of the EGI Grid via the WeNMR project (www.wenmr.eu). The group develops and hosts a variety of web portals (http://haddock.science.uu.nl).

Structural Biology
Professor of Computational Structural Biology
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Research within the computational structural biology group focuses on the development of reliable bioinformatics and computational approaches to predict, model and dissect biomolecular interactions at atomic level. For this, bioinformatics data, structural information and available biochemical or biophysical experimental data are combined to drive the modelling process. This is implemented and further developed in the widely used HADDOCK software for the modelling of biomolecular complexes (http://haddock.science.uu.nl).

By following a holistic approach integrating various experimental information sources with computational structural biology methods we aim at obtaining a comprehensive description of the structural and dynamic landscape of complex biomolecular machines, adding the structural dimension to interaction networks and opening the route to systematic and genome-wide studies of biomolecular interactions.

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Research ID: A-5420-2009

Google Scholar Citations

Biomolecular interactions, docking, structure and dynamics, biomolecular modelling, NMR spectroscopy, computational structural biology, structure calculations, molecular dynamics
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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