Deep-learning predictions of biomolecular structures : persistent limitations and new horizons extended by explicit ion addition
Jules Marien, Sujith Sritharan, Beatrice Caviglia, Raphaëlle Versini, Lucas Auclair, Pierre Barraud, Carine Tisné, Alaa Reguei, Samuel Murail, Fabrice Leclerc, Élise Duboué-Dijon, JianJun Tao, Nathalie Basdevant, Marc Baaden, Chantal Prévost, , Antoine Taly
This paper evaluates limitations of deep learning in biomolecular structure prediction, highlighting the benefits of explicit ion modeling for improving conformational accuracy.
bioRxiv · Jul 26, 2026 · PreprintBiophysics