让脂质非常不愉快地发现它们如何与蛋白质结合。

Making lipids very unhappy to discover how they bind to proteins.

机构信息

Laboratory for Molecular Cell Biology, University College London, London, UK.

Institute of Computer Science, Goethe University Frankfurt, and Frankfurt Institute for Advanced Studies , Frankfurt, Germany.

出版信息

J Cell Biol. 2024 Nov 4;223(11). doi: 10.1083/jcb.202410022. Epub 2024 Oct 15.

DOI:10.1083/jcb.202410022

PMID:39404823

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11486829/

Abstract

Membrane lipid composition is maintained by conserved lipid transfer proteins, but computational approaches to study their lipid-binding mechanisms are limiting. Srinivasan et al. (https://doi.org/10.1083/jcb.202312055) develop a clever molecular dynamics simulations assay to accurately model lipid-binding poses in lipid transfer proteins.

摘要

膜脂组成由保守的脂类转运蛋白维持，但研究其脂类结合机制的计算方法具有局限性。Srinivasan 等人（https://doi.org/10.1083/jcb.202312055）开发了一种巧妙的分子动力学模拟测定法，可准确模拟脂类转运蛋白中的脂类结合构象。