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The potential of mean force (PMF) as a function of Rg for Rg-perturbed BdpA unfolding paths. The first three panels show the PMF curves, labeled by the codes shown in Table I, for each time length for (a) TMD, (b) SMD and (c) BMD. An average curve is calculated from PMF profiles of multiple trajectories (two to four) with the same simulation condition, and the shaded area shows the variance. (d) Average PMF curves.
