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. 2020 Oct 16;21:100451. doi: 10.1016/j.imu.2020.100451

Fig. 9.

Fig. 9

Binding orientations of the allosteric binders at the predicted S-protein sites over the terminal post-equilibrated time-frames. A-C. show ZINC3939013 orientations at Site 1 along time-frames 270-300ns A’-C’. shows the trans-domain orientations of Site 2-bound ZINC27990463 from 270-300ns of the simulated trajectory.