Seth M. Woodbury

This paper designs de novo metalloproteases using RoseTTAFold Diffusion 2, achieving high activity and specificity for cleaving various substrates.

RFdiffusion2 scaffolds unindexed atom-level catalytic active sites via flow matching without inverse rotamer enumeration, solving all 41 in silico benchmark cases and yielding active de novo enzymes across four reactions.

This paper designs highly active metallohydrolases using a new generative AI method, achieving kcat/KM values up to 53,000 M-1 s-1 without experimental optimization.