Alexandre Bonvin bio photo

Computational Structural Biology group focusing on dissecting, understanding and predicting biomolecular interactions at the molecular level.

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The WeNMR services, provided by our group at Utrecht University since 2010, have been at the forefront of delivering essential computational resources to the global life sciences and structural biology communities, supporting the research activities of more than 77,000 registered users to date. These services, backed by multiple European projects and initiatives, have made substantial contributions to scientific advancement. Among the flagship tools offered is the HADDOCK platform, widely used for the modelling of biomolecular interactions.

The provision of these computational services entails considerable resource demands, amounting to approximately 5,500 CPU years annually—far exceeding the capacity of the Utrecht team’s local infrastructure. Through access to High Throughput Computing (HTC) resources within the European Open Science Cloud (EOSC) under the EGI federation, in which the Dutch national grid participates, the HADDOCK service has been able to effectively support a large and continuously expanding international user base.

Through the renewal of an NWO-EW computing grant (grant number 2025.054), we have secured continued access to Dutch HTC grid resources, in the form of 10 million compute hours provided by SURFSara and Nikhef, ensuring the sustained operation of our computational services.