Protein inverse folding through joint modeling of surface and backbone geometry (opens in new tab)

Inverse protein folding aims to generate amino acid sequences compatible with a given protein structure. While recent deep learning methods have achieved strong performance by conditioning on residue-level backbone geometry, backbone-only representations insufficiently constrain surface-exposed residues and thus incompletely capture the structural determinants of sequence identity. Here we propose Surleton, a structure-aware inverse folding framework that jointly models backbone geometry and ...