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Zero-shot design of drug-binding proteins using neural networks

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If you have a question about this talk, please contact Simona Valeviciute .

The use of deep neural networks has improved almost every aspect of protein structure prediction and design. Yet, the design of proteins that bind to small molecules has remained an outstanding challenge. Here, I will discuss new models and algorithms that unlock the use of neural networks for design of drug-binding proteins from scratch with unprecedented success rates. This work enables the design of binders in a single shot, which we demonstrate with the design of an exatecan-binding protein for applications in targeted delivery. We further devised an approach to turn this binder into an exatecan sensor. The de novo design of biosensors is an outstanding challenge in the field. I will finish my presentation by discussing our latest results that could potentially generalize de novo biosensor design.

This talk is part of the Seminars on Quantitative Biology @ CRUK Cambridge Institute series.

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