Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
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 …

Application of computational approaches in biomembranes: From structure to function

J Guo, Y Bao, M Li, S Li, L Xi, P Xin… - Wiley …, 2023 - Wiley Online Library
Biological membranes (biomembranes) are one of the most complicated structures that
allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing …

[HTML][HTML] Structural determinants and functional consequences of protein affinity for membrane rafts

JH Lorent, B Diaz-Rohrer, X Lin, K Spring… - Nature …, 2017 - nature.com
Eukaryotic plasma membranes are compartmentalized into functional lateral domains,
including lipid-driven membrane rafts. Rafts are involved in most plasma membrane …

[HTML][HTML] Protein partitioning into ordered membrane domains: insights from simulations

X Lin, AA Gorfe, I Levental - Biophysical journal, 2018 - cell.com
Cellular membranes are laterally organized into domains of distinct structures and
compositions by the differential interaction affinities between various membrane lipids and …

Lipid Acyl Chain cis Double Bond Position Modulates Membrane Domain Registration/Anti-Registration

S Zhang, X Lin - Journal of the American Chemical Society, 2019 - ACS Publications
Inter-leaflet coupling is critical to control the dynamics of membrane domain registration/anti-
registration, which is important in maintaining proper biological functions. Factors such as …

RAS GTPases and Interleaflet Coupling in the Plasma Membrane

J Liu, N Arora, Y Zhou - Cold Spring Harbor Perspectives …, 2023 - cshperspectives.cshlp.org
RAS genes are frequently mutated in cancer. The primary signaling compartment of wild-
type and constitutively active oncogenic mutant RAS proteins is the inner leaflet of the …

Cholesterol flip-flop impacts domain registration in plasma membrane models

S Thallmair, HI Ingólfsson… - The journal of physical …, 2018 - ACS Publications
The plasma membrane is a highly complex multicomponent system that is central to the
functioning of cells. Cholesterol, a key lipid component of the plasma membrane, promotes …

Domain stability in biomimetic membranes driven by lipid polyunsaturation

X Lin, JH Lorent, AD Skinkle, KR Levental… - The Journal of …, 2016 - ACS Publications
Biological membranes contain a broad variety of lipid species whose individual
physicochemical properties and collective interactions ultimately determine membrane …

The fine‐tuning of cell membrane lipid bilayers accentuates their compositional complexity

T Dingjan, AH Futerman - BioEssays, 2021 - Wiley Online Library
Cell membranes are now emerging as finely tuned molecular systems, signifying that re‐
evaluation of our understanding of their structure is essential. Although the idea that cell …

Optimization of hydrophobic nanoparticles to better target lipid rafts with molecular dynamics simulations

X Lin, X Lin, N Gu - Nanoscale, 2020 - pubs.rsc.org
Due to different interactions between lipids and proteins, a plasma membrane can
segregate into different membrane domains. Among them, ordered functional membrane …