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. Author manuscript; available in PMC: 2020 Dec 8.
Published in final edited form as: Nat Chem Biol. 2020 Jun 8;16(9):997–1005. doi: 10.1038/s41589-020-0555-4

Extended Data Fig. 4. Evolution of the global Root Mean Square Deviation (RMSD) during Molecular Dynamics (MD) trajectories.

Extended Data Fig. 4

(a) WT hLYPLAL1 and R80 mutants, and (b) WT hLYPLAL1 with chlorobenzene as cosolvent. The RMSD was calculated considering only the backbone atoms and using the starting frames as the reference structures. Results from 10 independent simulations.