Han Altae-Tran

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 introduces RFD2-MI, a deep learning framework for designing phosphotyrosine peptide binders, showing high specificity and affinity for phosphorylated targets.