arxivcs.LG2026-07-19
CORAL: Learning Amyloid Fibril Ligand Docking with Cooperative Binding Rewards
Yasheng Sun, Bohan Li, Youqi Tao, Jürgen Schmidhuber
A hallmark of neurodegenerative diseases such as Alzheimer's and Parkinson's is the aberrant aggregation of proteins into amyloid fibrils, and small molecules that selectively bind to these fibrils hold promise as diagnostics, imaging probes, and therapeutics. Predicting how such…