DynMoCo: a Novel AI Framework to Reveal Modular Substructures of Protein From Molecular Dynamics
Lingchao Mao, Mingu Kwak, Amir Hossein Kazemipour Ashkezari, Zhenhai Li, Peiwen Cong, Yunfeng Chen, Jung Hun Phee, Sooyeon Kang, Jing Li, Cheng Zhu
DynMoCo identifies modular substructures in protein dynamics from molecular simulations by detecting time-evolving communities of residues.
Biophysical Journal · Mar 19, 2026Peer-reviewedBiophysics