Deep learning of protein energy landscape and conformational dynamics from experimental structures in PDB
Y. Tang, M. Yu, G. Bai, X. Li, Y. Xu, B. Ma
This study develops DeepConformer, a diffusion model that learns protein conformational dynamics and energy landscapes from PDB structures and coevolution data, reproducing MD simulation results without using MD data.
bioRxiv · Jun 27, 2024 · PreprintBiophysics