De novo design of ligand binding proteins using large language models alone
Nam Hyeong Kim, A. Katherine Hatstat, Hyunil Jo, Yibing Wu, William F. DeGrado
This paper demonstrates that large language models can generate de novo protein sequences that bind specific ligands without copying existing sequences, with a 25% hit rate in experimental validation.
bioRxiv · Sep 3, 2026 · PreprintBiochemistry