D. Segura-Pena et al. eLife 2023 
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doi: https://doi.org/10.7554/eLife.85328
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COMPUTATIONAL DATA FILES 
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This folders contain raw simulation data associated to the publication. 

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.

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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 
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The two folder AURKB, AURKC refer to simulations of Aurora-B and Aurora-C respectively.