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Lochhead_etal_2020
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Description: Files and codes used to set up molecular dynamics simulations and MM/PBSA calculations, and resulting trajectories, for work as described in Lochhead, P.A., Tucker, J.A., Tatum, N.J. et al. Paradoxical activation of the protein kinase-transcription factor ERK5 by ERK5 kinase inhibitors. Nat Commun 11, 1383 (2020). https://doi.org/10.1038/s41467-020-15031-3
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