Risselada Herre Jelger
Institute for Theoretical Physics, Georg-August-Universität, Goettingen, Germany; Chemical Department, Leibniz Institute of Surface Modification, Leipzig, Germany.
Biophys J. 2017 Jun 20;112(12):2475-2478. doi: 10.1016/j.bpj.2017.04.031. Epub 2017 May 16.
Coarse-grained molecular dynamics simulations are applied to explore the experimentally observed ability of the liquid-ordered (lo)/liquid-disordered (ld) phase boundary to facilitate viral membrane fusion. Surprisingly, a formed fusion stalk can be both attracted (i.e., stalkophilic) and repelled (i.e., stalkophobic) by the lo/ld phase boundary. The phase boundary becomes stalkophilic if the lo phase constituents have the larger negative spontaneous curvature. In such a case, location of the highly curved stalk near the less-ordered and thus (relatively) softer boundary region becomes energetically favorable. These insights may explain why modeled viral fusion occurs preferentially near the lo/ld phase boundary.
应用粗粒度分子动力学模拟来探究实验观察到的液-有序（lo）/液-无序（ld）相界促进病毒膜融合的能力。令人惊讶的是，形成的融合茎既可以被lo/ld相界吸引（即亲茎），也可以被排斥（即疏茎）。如果lo相成分具有更大的负自发曲率，则相界会变成亲茎的。在这种情况下，高度弯曲的茎位于较无序因而（相对）较软的边界区域附近在能量上变得有利。这些见解可能解释了为什么模拟的病毒融合优先发生在lo/ld相界附近。
