Deep learning of protein energy landscape and conformational dynamics from experimental structures in PDB
Yike Tang, Mendi Yu, Ganggang Bai, Xinjun Li, Yanyan Xu, Buyong 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