AI-designed artificial metalloenzyme achieves 97:3 enantioselectivity, over 95% yield in Nature

bravo_abad · x · 2026-10-22

Mishra et al. report in Nature a de novo-designed protein built around a synthetic metal photocatalyst. Using RFdiffusion All-Atom to design the catalyst-binding pocket and LigandMPNN for sequence design, followed by directed evolution, the resulting DE3 variant produced mirror-image products in a 97:3 ratio with over 95% yield — a full AI protein design + evolution route to enantioselective artificial enzyme photocatalysts.

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