cc-by-4.0Lasham, JonathanSharma, Vivek2025-03-242023-05-022023-05-02https://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/9308Simulation snapshots (.pdb) from classical MD of complex I from Yarrowia lipolytica. "S" correspond to setups as described in https://doi.org/10.1016/j.bbabio.2022.148951 "R" is replica number and "F" is frame. These files can be visualised in software such as VMD or Pymol.Opendataset