Dorian Bagni

Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction

Yingze Wang, Jie Li, Oufan Zhang, 2023, ArXiv.

Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design.

Rommie E. Amaro, Mojtaba Haghighatlari, Conor Parks, 2024, Journal of chemical information and modeling.