Fanhao Wang

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.

This paper introduces CYC_BUILDER, a reinforcement learning method for designing cyclic peptides that bind target proteins, demonstrating its effectiveness in generating potent inhibitors for TNF.

SIDERITE identifies new iron-binding molecules by analyzing chemical structures and confirming their iron-binding ability through experimental validation.