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Trajectories of MD simulations. (a-c). Root-mean-square deviations (RMSD) of the heavy atoms for three independent MD simulations for the closed (blue) and open (red) forms. (d-f). Root-mean-square fluctuations (RMSF) of the Cα atoms computed for three independent simulations for the closed (blue) and open (red) forms. The average values and standard deviations over 30-ns simulations are computed and displayed.
