GreatCaptainNemo/instruction_dataset
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Mellon Tang
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A Guide to Designing New Functional Proteins and Improving Protein Function, Stability, and Diversity with Generative AI
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Currently attempting to hack EvoDiff to generate binders for target proteins with some interesting results. The generated binders tend to change conformation, sometimes drastically, when bound to the target proteins compared to their unbound states. Below is the target protein with an IDR linker, the generated binder, and the binder bound to the target protein with the IDR linker structure as predicted by ESMFold. Notice how the binder goes from being a solid alpha-helix, to being beta-sheets (in orange). That's quite a change in tertiary structure!
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