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. 2017 Feb 17;11:451–461. doi: 10.2147/DDDT.S129991

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© 2017 Liang et al. This work is published and licensed by Dove Medical Press Limited

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Convergence of the PMFs calculated for four systems by US simulations.

Notes: (A) Converged PMF of FGFR1^WT/AZD4547; (B) converged PMF of FGFR1^V561M/AZD4547; (C) converged PMF of FGFR1^WT/E3810; (D) converged PMF of FGFR1^V561M/E3810.

Abbreviations: FGFR1, fibroblast growth factor receptor 1; PMF, potential of mean force; US, umbrella sampling; WT, wild type.