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:

We recently received an ASDI grant from the Netherlands eScience Center (NLeSC). ASDI projects aim at accelerating scientific discovery by means of eScience innovations.

This project, led by Dr Li Xue in our group, will focus on unravelling the relations between structural, chemical and evolutional attributes of proteins and their 3D interactions. It is entitled:

DeepRank: Scoring 3D protein-protein interaction models using deep learning.

“Our innovative strategy is to treat this problem as a 3D image classification problem: The interfaces of docked models will be represented as 3D images and dNNs (deep networks) will be trained to classify whether they are near-native or not. Unlike other machine learning techniques, dNNs are now able to learn from millions of data without reaching a performance plateau quickly, which is computationally tractable by harvesting so called GPU and Hadoop technologies. The resulting scoring function, DeepRank, will markedly enhance our capability to reliable model biomolecular complexes, assisting the scientific community to gain insights into macromolecular aspects of life. The impact will be broad since 3D image-based dNNs have applications in many other domains, such as medical diagnoses (MRI), cryo-electron microscopy and computer vision.”

Congratulations to Li Xue for a successful proposal!

Read more about is here.