活性肽的目标,可能绑定模式探索的分子对接模拟。(a)最优惠的姿势的肽ELLASPW DENV2信封。插图显示了假定的结合位点的更多细节。(b)最优惠的姿势肽STSFWIT和SYQSHYY域三世。肽STSFWIT占据了上层分子的结合位点在这个图。蛋白质中描述他们的疏水性的表面,而肽棍模型。(c)为ELLASPW-envelope交互图。STSFWIT-domain III (d)交互图。SYQSHYY-domain III (e)交互图。交互图是在LigPlot +完成。 Intermolecular hydrogen bonds are indicated by green dashed lines, while hydrophobic interactions are represented by arcs and radiating spokes. Pose figures were prepared using UCSF Chimera.