Extended Data Fig. 4: Evolution of the global Root Mean Square Deviation (RMSD) during Molecular Dynamics (MD) trajectories.
From: Discovery of small-molecule enzyme activators by activity-based protein profiling
(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.
