(Un)binding simulation analyses of MK-2206 binding to the allosteric site of human AKT1.

<p>Panels A–I: The (un)binding simulation phases of MK-2206; ‘A’ denotes farthest phase from the binding site, ‘H’ - the closest to the binding site, and ‘I’ - the binding site phase. The hydrogen bonds are shown as green-dashed lines with indicated bond length and the residues involved in hydrophobic interactions are shown as red arcs. The residues which are common to the last phase (F) are encircled.