Nature Communications, Published online: 11 June 2026; doi:10.1038/s41467-026-74196-5 E-CloudBind improves drug-protein interaction (DPI) prediction by combining electron cloud representations with molecular graphs, enabling robust performance across low-resolution, predicted, and out-of-distribution structures for drug discovery.
An electron-density point-cloud framework for robust protein-ligand interaction prediction
Bin Liu