Spatiotemporal graph neural networks reveal conformational binding signature in protein dynamics
Stefano Motta, Gianluca Santini, Samman Mansoor, Ferdoos Hossein Nezhad, Massimiliano Meli, Alessandro Pandini
This paper introduces a deep learning method to identify conformational binding signatures in protein dynamics from molecular simulations.
bioRxiv · May 21, 2026 · PreprintBiophysics