HADDOCK is a web portal that offers computational tools for structural biologists to model the structure of complexes of proteins and other biomolecules via a user-friendly interface. The portal offers a number of interfaces, depending on the amount of information and restraints that researchers wish to place on their models. HADDOCK is prepared to deal with several classes of problems, including protein-protein, protein-nucleic acids and protein-ligand complexes.
HADDOCK is free to use but requires registration (which is also free).
The thousands of computational tasks operated in the back-end of HADDOCK are powered by EGI’s High-Throughput Compute service.
So far, HADDOCK has processed more than 130,000 submissions from over 8,000 scientists, which translates into about 8 million jobs per year on the EGI infrastructure.
The computing resources required to enable HADDOCK are provided by the national e-Infrastructures of Belgium, France, Germany, Italy, the Netherlands, Poland, Portugal, Spain, UK, and other international organisations. Seven federated data centres have pledged 75 million hours of computing time and more than 50 TB storage capacity, ensuring the continuity of the HADDOCK services.
HADDOCK is a service provided by the Bijvoet Center, Utrecht University.
HADDOCK is a core software of the BioExcel Center of Excellence
Rhys Grinter and his team used HADDOCK to model the structure of iron-binding receptors in bacteria. The work was published in Nature Communications.
van Zundert et al. 2015. The HADDOCK2.2 webserver: User-friendly integrative modeling of biomolecular complexes. Journal of Molecular Biology. doi: 10.1016/j.jmb.2015.09.014. (Full text, Open Access)