Conference
Open access
Sep 2026
UniPocket: Physics-Aware Geometric Graph Learning with Manifold Completeness for Ligand-Specific Binding Site Prediction
Predicting ligand binding sites on protein surfaces requires capturing complex local geometries and satisfying physical constraints. Existing voxel-based methods suffer from high computational costs and rotation sensitivity, while standard point-cloud GNNs often lack geometric completeness—failing to distinguish chiral...
Kang-Xin Chen, Jie-Yu Zhao, Jin-Li Hu et al.
· Proceedings of the Thirty-Fi... · 0 citations