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Author

Nicholas F. Polizzi

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Open access Aug 2026

De novo design of small-molecule–induced conformational change

Many biological proteins function by changing shape upon small-molecule binding. Here, we present a general strategy for designing de novo proteins that undergo small-molecule-induced conformational change. Our approach converts a preorganized small-molecule binding protein into a ligand-responsive shape-changer by add...

Jeffrey Chang, Nicholas F. Polizzi · 0 citations
Open access Jun 2026

Zero-shot design of drug-binding proteins via neural iterative selection−expansion

This work used its strategy, termed neural iterative selection–expansion (NISE), to design proteins that, using different folds, specifically bind to two chemically distinct small-molecule drugs, exatecan and apixaban, with success rates of 100%, respectively.

Benjamin Fry, Kaia Slaw, Nicholas F. Polizzi · 7 citations · ⚡1

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