WeNMR is a Virtual Research Community that aims at bringing together complementary research teams in the structural biology and life science area into a virtual research community at a worldwide level and provide them with a platform integrating and streamlining the computational approaches necessary for data analysis and modelling. Since 2019, the WeNMR services are also available in the EOSC Marketplace & Portal.
Among the WeNMR thematic services operated under EOSC-Hub there is the Haddock portal, a portal that is specialized in modeling complexes of proteins and other biomolecules. HADDOCK is one of the earlier developed protein-protein docking tools contributed by the Computational Structural Biology group / NMR Research Group of Utrecht University that was led by Prof. Bonvin. HADDOCK can integrate information derived from biochemical, biophysical or bioinformatics methods to enhance sampling, scoring, or both. The information that can be integrated is quite diverse: among others interface restraints from NMR, mutagenesis experiments, or bioinformatics predictions and, recently, cryo-electron microscopy experiments. The computational tasks operated in the back-end of HADDOCK are powered by EGI’s High-Throughput Compute service.