Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter

Figure 5

RMSD of the atoms belonging to the T monomer of the initial state shown for different TMD selections. The deviation is determined with respect to the target state, that is, the next step in the functional rotation, for simulations progressing from the initial to the target state. A running average of 20 simulations steps was applied here as well as in the following graphs.

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