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真实细胞膜的计算建模。

Computational Modeling of Realistic Cell Membranes.

机构信息

Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials , University of Groningen , Nijenborgh 7 , 9747 AG Groningen , The Netherlands.

Centre for Molecular Simulation and Department of Biological Sciences , University of Calgary , 2500 University Drive NW , Calgary , Alberta T2N 1N4 , Canada.

出版信息

Chem Rev. 2019 May 8;119(9):6184-6226. doi: 10.1021/acs.chemrev.8b00460. Epub 2019 Jan 9.

Abstract

Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which is still poorly understood. Computational models, in particular molecular dynamics simulations and related techniques, have provided important insight into the organizational principles of cell membranes over the past decades. Now, we are witnessing a transition from simulations of simpler membrane models to multicomponent systems, culminating in realistic models of an increasing variety of cell types and organelles. Here, we review the state of the art in the field of realistic membrane simulations and discuss the current limitations and challenges ahead.

摘要

细胞膜含有多种脂质类型,并且挤满了蛋白质,使它们具有在细胞功能中发挥关键作用所需的可塑性。细胞膜的组成复杂性导致了异质的侧向组织,这仍然是理解不够的。在过去的几十年中,计算模型,特别是分子动力学模拟和相关技术,为细胞膜的组织原则提供了重要的见解。现在,我们正在见证从更简单的膜模型的模拟到多组分系统的转变,最终形成越来越多种类的细胞和细胞器的现实模型。在这里,我们回顾了现实膜模拟领域的最新进展,并讨论了当前的局限性和未来的挑战。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b742/6509646/d5854d70d724/cr-2018-00460a_0001.jpg

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