The Computational Structural Biology Group of Utrecht University has released a new, improved version of their HADDOCK web server with tools for understanding and predicting biomolecular interactions at the molecular level.
The grid-enabled HADDOCK web server is free for non-profit users. So far, over 6,500 scientists working in the field of structural biology have submitted more than 110,000 grid computing jobs via the web server, a third of which have run on EGI HTC resources.
The computing resources required to enable their work are provided by the National Grid Initiatives of Belgium, France, Germany, Italy, the Netherlands, Poland, Portugal, Spain, UK, and other international organisations. Recently seven resource centres have pledged 75 million hours of computing time and more than 50 TB storage capacity to support the MoBrain community to which the HADDOCK developers belong, ensuring the continuity of the HADDOCK services.
The HADDOCK web server offers many new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. A full technical description of the upgrades is available online.
Alexandre Bonvin, Professor of Computational Structural Biology in Utrecht and lead of the development team hopes that “this timely upgrade will help the community to solve important biological questions and further advance the field.”
HADDOCK continuous development is supported by a partnership between Utrecht’s Computational Structural Biology Group and the EU projects WeNMR, MoBrain, WestLife, BioExcel and INDIGO DataCloud. The upgrade is described in a paper published in the journal Computation Resources for Molecular Biology (full text, open source).