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. 2018 May 9;12:1183–1193. doi: 10.2147/DDDT.S147104

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© 2018 Wang et al. This work is published and licensed by Dove Medical Press Limited

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Convergence of the PMFs calculated for four simulated systems by US simulations. The PMFs gradually decrease with the increase in the simulation time. When the simulation time was lengthened to 5–8 ns for each window, the PMFs became convergent.

Note: Converged PMFs of ALK^WT/alectinib (A), ALK^G1202R/alectinib (B), ALK^WT/JH-VIII-157-02 (C), and ALK^G1202R/JH-VIII-157-02 (D).

Abbreviations: ALK, anaplastic lymphoma kinase; PMF, potential of mean force.