BioinformaticsbioRxivPreprint
Pep2Mol: 3D Molecule Generation Targeting Protein-Protein Interfaces with Diffusion Models
Rongting Yue, Zekun Yang, Gustavo de Miranda Seabra…·Yanjun Li
Pep2Mol generates 3D molecules targeting protein-protein interfaces using diffusion models, achieving state-of-the-art binding affinities for small-molecule inhibitors.
DOI 10.64898/2026.06.28.734975