FuzzAletheia: Mapping dynamic interaction landscapes of intrinsically disordered protein-ligand complexes to accelerate ligand optimization
Hanping Wang, Fanhao Wang, Ruoyao Xiong, Qi Sun, Luhua Lai
FuzzAletheia maps dynamic interaction patterns of IDP-ligand complexes to guide hit-to-lead optimization, achieving a 10-fold activity enhancement in a p53 ligand.
bioRxiv · Nov 26, 2025 · PreprintBiophysics