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. 2021 Oct 25;29(2):905–910. doi: 10.1016/j.sjbs.2021.10.015

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© 2021 The Author(s)

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

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Fig. 4 — a-d: Structural dynamics of IL8 up on ZINC14613097 binding. (a) RMSD plot of IL8 and IL8-ZINC14613097 complex as a function of time. (b) RMSF plot of free IL8 and upon silmitasertib binding. (c) Time evolution of radius of gyration of IL8 and IL8-ZINC14613097 complex. (d) SASA plot of IL8 and IL8-ZINC14613097 complex as a function of time. The values were obtained from 50 ns MD simulations time scale. Black and red represents values obtained for free IL8 and IL8-ZINC14613097 complex, respectively.