Baker Lab Publishes Two Nature Papers on De Novo Design of Metallo- and Cysteine Proteases

ArashVahdat · x · 2026-10-15

David Baker's lab has published two new Nature papers on the computational de novo design of proteases: metalloproteases and cysteine proteases. Contributor Kieran Didi highlights that ML interatomic potentials (MLIPs) 'hold signal' for modeling this chemistry, suggesting ML force fields are playing a growing role in enzyme design simulations, with more results teased. This marks a notable step from protein structure generation toward designing functional, catalytic enzymes.

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