Hierarchical affinity landscape navigation through learning a shared pocket-ligand space
Bin Feng, Zijing Liu, Hao Li, Mingjun Yang, Junjie Zou, He Cao, Yu Li, Lei Zhang, Sheng Wang
LigUnity is a foundation model that jointly embeds ligands and protein pockets into a shared space to improve affinity prediction in virtual screening and hit-to-lead optimization.
Patterns · Sep 17, 2025Peer-reviewedBioinformatics