Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, the Netherlands. Electronic address: https://twitter.com/chelseabrowncg.
Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, the Netherlands. Electronic address: s.j.marrinkrug.nl.
Curr Opin Struct Biol. 2024 Aug;87:102837. doi: 10.1016/j.sbi.2024.102837. Epub 2024 May 13.
Molecular dynamics simulations of cellular membranes have come a long way-from simple model lipid bilayers to multicomponent systems capturing the crowded and complex nature of real cell membranes. In this opinionated minireview, we discuss the current challenge to simulate the dynamics of membranes in their native environment, in situ, with the prospect of reaching the level of whole cells and cell organelles using an integrative modeling framework.
细胞膜的分子动力学模拟已经取得了长足的进展——从简单的模型脂质双层到多组分系统，这些系统捕捉了真实细胞膜拥挤而复杂的特性。在这篇有主见的迷你综述中，我们讨论了当前模拟膜在其天然环境中（原位）动态的挑战，以及使用综合建模框架达到整个细胞和细胞器水平的前景。
