This folders contain raw simulation data associated to the publication: D. Segura-Pena et al. eLife 2023 doi: https://doi.org/10.7554/eLife.85328 --- The folder TOPOLOGIES contains all topology files, coordinates, and md input in GROMACS format. The folder TRAJECTORIES contains the trajectories produced by molecular dynamics simulations. -------- The folder and file names follow the acronyms introduced in the article: NO-P --> unphosphorylated system LOOP-P --> System phosphorylated in the AURK activation loop IN-P --> System phosphorylated in TSS motif of IN-box ALL-P --> fully phosphorylated system HM --> fully phosphorylated AURKB sequence modelled on the x-ray structure of AURKC -------- The two folder AURKB, AURKC refer to simulations of Aurora-B and Aurora-C respectively.