Glutamine synthetase cryo-EM EMMIVox ensemble refinements

This deposit contains molecular dynamics trajectory files (.xtc) and PDB model files (.pdb) generated using the EMMIVox ensemble refinement approach applied to cryo-electron microscopy (cryo-EM) maps of glutamine synthetase; specificially EMD-70845 (apo-filament), EMD-70841 (turnover filament), and EMD-70843 (turnover decamer). EMMIVox (https://doi.org/10.1371/journal.pcbi.1012180) is a Bayesian inference-based method designed to integrate cryo-EM data with atomistic and coarse-grained molecular dynamics simulations, enabling the determination of both high-quality single-structure models and structural ensembles that capture the conformational heterogeneity present in the experimental data.