Dynamic interactions between membrane proteins span a range of spatio-temporal scales and determine several cellular outcomes. Experimental methods in structure determination are able to resolve static protein-protein complexes at the membrane, but lack the resolution required for disordered, flexible domains and dynamic interactions. Computational approaches could bridge the resolution gap and help to unravel molecular details underlying these crucial interactions. Here, we review current approaches to predict dynamic membrane-protein complexes, with a focus on G protein-coupled receptors (GPCRs). Ensemble coarse-grain simulations have captured the conformational heterogeneity of several membrane receptor complexes. In conjunction, the conformational plasticity of protein interfaces especially encompassing unstructured domains is well represented by atomistic simulations. A combined integrative approach will pave the way forward to understand the molecular details of these dynamic complexes.

中文翻译：

---

膜蛋白复合物的动态蛋白界面和构象态势。

膜蛋白之间的动态相互作用跨越了时空范围，并确定了几种细胞结局。结构确定的实验方法能够解析膜上的静态蛋白质-蛋白质复合物，但缺乏无序，柔性域和动态相互作用所需的分辨率。计算方法可以弥合分辨率鸿沟，并有助于揭示这些关键相互作用背后的分子细节。在这里，我们审查当前预测动态膜蛋白复合物的方法，重点是G蛋白偶联受体（GPCR）。集成的粗粒模拟已捕获了几种膜受体复合物的构象异质性。结合起来 原子模拟很好地代表了蛋白质界面的构象可塑性，特别是涵盖非结构域。结合的综合方法将为理解这些动态复合物的分子细节铺平道路。