ProtXAI: Explainable AI Reveals Structural Determinants of Protein Dynamics
Faraneh Haddadi, Joan Planas-Iglesias, Jan Mičan, Jana Horackova, Sérgio M. Marques, Matej Demovic, Pavel Kohout, Jiřı́ Damborský, David Bednář, Stanislav Mazurenko
ProtXAI combines molecular dynamics and explainable AI to identify residue-level determinants of protein conformational changes across diverse systems.
bioRxiv · May 29, 2026 · PreprintBioinformatics