Complex-based Ligand-Binding Proteins Redesign by Equivariant Diffusion-based Generative Models
Viet Thanh Duy Nguyen, Nhan Duc Nguyen, Truong Son Hy
This study introduces ProteinReDiff, a diffusion-based model for redesigning ligand-binding proteins using sequence and ligand SMILES inputs, showing effectiveness in affinity and structural preservation.
bioRxiv · Apr 17, 2024 · PreprintBioinformatics