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. 2019 May 23;17:675–683. doi: 10.1016/j.csbj.2019.05.004

Fig. 5.

Fig. 5

A sequence of Pymol images of the cyclooctasulfur ring S8 at a selected subset of sampling windows along its exit trajectory from the interior of cavity 3 through the walls of RHCC tetrabrachion and into the solvent bath. For the umbrella sampling analysis, the molecule was restrained at each selected location by an harmonic umbrella bias potential. (a) channel view (b) top view.