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AI-redesigned starting points and outcomes enhance protein evolution | Nature

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A workflow using artificial intelligence-redesigned starting points to evolve enzymes with improved properties compared with those evolved from natural proteins is established.

Download PDF Subjects Molecular engineering Protein design Abstract Engineered or laboratory-evolved proteins often have suboptimal stability, activity or specificity. Here we applied artificial intelligence (AI)-based protein sequence design to address challenges in experimental enzyme evolution. Using the model ProteinMPNN, we redesigned three distinct botulinum neurotoxin (BoNT) proteases, generating variants with improved stability and full catalytic efficiency 1 . We hypothesized that redesigned enzymes may be more mutationally robust than their wild-type (WT) counterparts, and therefore

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