Open access
Jun 2026
Pep2Mol: 3D Molecule Generation Targeting Protein-Protein Interfaces with Diffusion Models
P Pep2Mol is introduced, a diffusion-based generative model for 3D molecule design that targets orthosteric PPI sites by explicitly incorporating binding peptides or proteins as structural guidance, moving beyond conventional pocket-conditioned generation.
Rongting Yue, Zekun Yang, G. Seabra et al.
· bioRxiv · 0 citations