Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Europe PMC REST API · Indexed academic record · Source published: Thu Jul 18 2024 00:00:00 GMT+0000 (Coordinated Universal Time) · Indexed here: Thu Oct 08 2026 09:08:29 GMT+0000 (Coordinated Universal Time)
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We describe an approach for designing high-affinity small molecule-binding proteins poised for downstream sensing. We use deep learning-generated pseudocycles with repeating structural units surrounding central binding pockets with widely varying shapes that depend on the geometry and number of the repeat units. We dock small molecules of interest into the most shape complementary of these pseudoc
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