Molecular dynamics datasets for the analysis of conformational plasticity in Ru4POM-bound mitochondrial ACAD9

This dataset contains molecular dynamics simulation data supporting the analysis of conformational plasticity in mitochondrial acyl-CoA dehydrogenase family member 9 (ACAD9) upon binding of the ruthenium-based polyoxometalate Ru4POM. The deposited files include input structures, simulation setup files, molecular dynamics trajectories, and processed analysis data used to compare the Ru4POM-derived ACAD9 conformation with FAD-bound and ECSIT-bound reference states. The dataset supports a submitted manuscript entitled “A ruthenium-based polyoxometalate probes conformational plasticity in the mitochondrial enzyme ACAD9”.