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. 2021 Feb 19;770:138446. doi: 10.1016/j.cplett.2021.138446

Fig. 3.

Fig. 3

Comparative analysis of trajectories: a) RMSD analysis of the apo-protein and the complexes calculated over 130 ns trajectories, b) Average RMSF of protein with simulated complexes, c) RMSF of substrate binding site residues [inset: average RMSF].