RAFLab/histo.fyi

I built a well curated dataset and then used it to answer 8 key scientific questions. They were mainly around devising interaction footprints and understanding about the important relationships with them around the role of sequence and structure in generating the interaction geometry. I also used what we found to ask questions about the underlying biology of cross-reactivity and analysed structure predictions by State of the Art models to understand if they are a proxy for experimentally determined structures (not yet!). One of the most important findings is that the prediction methods memorize rather than generalise and have a much less diverse interaction footprint than the experimentally determined structures and assays. We will do follow-on work to validate results and publish them, and more work with Claude Science to prioritise data gathering and see if we can teach the structure prediction methods how to predict better.

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