The structure, self-assembly and dynamics of lipid nanodiscs revealed by computational approaches

IF 3.3 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Biophysical chemistry Pub Date : 2024-03-29 DOI:10.1016/j.bpc.2024.107231

Beibei Wang , D. Peter Tieleman

引用次数: 0

Abstract

Nanodisc technology is increasingly being used in structural, biochemical and biophysical studies of membrane proteins. The computational approaches have revealed many important features of nanodisc assembly, structures and dynamics. Therefore, we reviewed the application of computational approaches, especially molecular modeling and molecular dyncamics (MD) simulations, to characterize nanodiscs, including the structural models, assembly and disassembly, protocols for modeling, structural properties and dynamics, and protein-lipid interactions in nanodiscs. More amazing computational studies about nanodiscs are looked forward to in the future.

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用计算方法揭示脂质纳米盘的结构、自组装和动力学特性

纳米盘技术正越来越多地用于膜蛋白的结构、生物化学和生物物理研究。计算方法揭示了纳米盘组装、结构和动力学的许多重要特征。因此，我们回顾了计算方法，特别是分子建模和分子动力学（MD）模拟在表征纳米圆盘方面的应用，包括纳米圆盘的结构模型、组装和分解、建模协议、结构特性和动力学以及蛋白质-脂质在纳米圆盘中的相互作用。我们期待着在未来开展更多有关纳米盘的令人惊叹的计算研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Biophysical chemistry 生物-生化与分子生物学

CiteScore

6.10

自引率

10.50%

发文量

121

审稿时长

20 days

期刊介绍： Biophysical Chemistry publishes original work and reviews in the areas of chemistry and physics directly impacting biological phenomena. Quantitative analysis of the properties of biological macromolecules, biologically active molecules, macromolecular assemblies and cell components in terms of kinetics, thermodynamics, spatio-temporal organization, NMR and X-ray structural biology, as well as single-molecule detection represent a major focus of the journal. Theoretical and computational treatments of biomacromolecular systems, macromolecular interactions, regulatory control and systems biology are also of interest to the journal.