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RMSD and RMSF analysis of EZH2-ligand complexes. (a) Backbone RMSD values (with respect to the X-ray structure) for EZH2-ligand complexes during 15 ns MD simulations. (b) Difference between the maximum and minimum fluctuation value of five putative inhibitors. (c) RMSFs of EZH2 in complex with five candidate inhibitors and GSK126 during the simulation. (d-i) The RMSF value of the amino acid that interacts with the inhibitors.
