Alexandre Bonvin bio photo

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

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Supported by:

In the context of a SURF Open Innovation Lab collaboration for deep learning enhanced HPC applications, the consortium of several universities (WUR, Radboud, Utrecht and Leiden universities) and SURFSara, led by Caspar van Leeuwen and Axel Berg, have received for their work an 2020 HPC Innovation and ROI Award.

Part of the work involves our work on using deep learning to classify crystallographic interfaces as biological or crystal artifact. The approach builds on our DeekRank project in collaboration with the Netherlands e-Science Center.

Read the details in our whitepaper:

C. van Leeuwen, D. Podareanu, V. Codreanu, M. Cai, A. Berg, S. Portegies Zwart, R. Stoffer, M. Veerman, C. van Heerwaarden, S. Otten, S. Caron, C. Geng, F. Ambrosetti, A.M.J.J. Bonvin. Deep-learning enhancement of large scale numerical simulations. Whitepaper (2020).