Simulation of cell-size systems at long timescales with flexible protein structures
Kamila Yunas, Amar Singh, Matthew M. Copeland, Andrii M. Tytarenko, Petras J. Kundrotas, Randal Halfmann, Pavlo O. Kasyanov, Eugene Aleksandrovich Feinberg, Ilya A. Vakser
The paper introduces a docking-based simulation method that combines rigid-body approximations with flexible protein structures to model macromolecular interactions in crowded cellular environments over long timescales.
bioRxiv · Jun 22, 2026 · PreprintBiophysics