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. 2022 Jul 20;8(29):eabo1190. doi: 10.1126/sciadv.abo1190

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Fig. 2. — Free energy profiles are computed by umbrella sampling molecular dynamics (MD) simulations. (A) RNA in NaCl and (B) in KCl. The reaction coordinate, x, is the displacement along the pulling direction. The effect of force (f) on the landscape F_f is estimated by F_f(x) = F₀(x) − fx. Vertical lines indicate major intermediate states along the RNA unfolding: F, folded state; I1, intermediate state 1; TS, transition state; I2, intermediate state 2; and U, unfolded state. The snapshots from simulations representing the intermediate states are shown in the insets with the last base-paired hairpin that is marked.