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