Computational insights into voltage dependence of polyamine block in a strong inwardly rectifying K+ channel

<p>Supplemental Material to the study &quot;<em>Computational insights into voltage dependence of polyamine block in a strong inwardly rectifying K⁺&nbsp;channel</em>&quot;, to be published in&nbsp;<em>Frontiers in Pharmacology</em>.</p> <p>The upload contains (1)&nbsp;a representative trajectory (run4),&nbsp;and (2) two frames of the SPM inward-pulling simulations:</p> <ul> <li>(1) Free MD run4&nbsp;with outward driving force, containing the compressed .xtc, the .tpr, and the final step as .gro file</li> <li>(2) steered MD, containing&nbsp;the starting frame (SPM in the central cavity below the Selectivity Filter)&nbsp;and a representative frame of SPM interacting with the CTD-binding site.&nbsp;</li> </ul>