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 …

Emerging diversity in lipid–protein interactions

V Corradi, BI Sejdiu, H Mesa-Galloso… - Chemical …, 2019 - ACS Publications
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

Coarse-grained protein models and their applications

S Kmiecik, D Gront, M Kolinski, L Wieteska… - Chemical …, 2016 - ACS Publications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

Cholesterol activates the G-protein coupled receptor Smoothened to promote Hedgehog signaling

G Luchetti, R Sircar, JH Kong, S Nachtergaele… - Elife, 2016 - elifesciences.org
Cholesterol is necessary for the function of many G-protein coupled receptors (GPCRs). We
find that cholesterol is not just necessary but also sufficient to activate signaling by the …

Biological membrane organization and cellular signaling

X Cheng, JC Smith - Chemical reviews, 2019 - ACS Publications
To execute their many vital functions, cell membranes are highly organized. Here, we review
how membrane structure shapes signal transduction across membranes. Recent …

Excessive aggregation of membrane proteins in the Martini model

M Javanainen, H Martinez-Seara, I Vattulainen - PloS one, 2017 - journals.plos.org
The coarse-grained Martini model is employed extensively to study membrane protein
oligomerization. While this approach is exceptionally promising given its computational …

Interaction of G protein coupled receptors and cholesterol

G Gimpl - Chemistry and physics of lipids, 2016 - Elsevier
G protein coupled receptors (GPCRs) form the largest receptor superfamily in eukaryotic
cells. Owing to their seven transmembrane helices, large parts of these proteins are …

Compartmentalized GPCR signaling from intracellular membranes

SE Crilly, MA Puthenveedu - The Journal of Membrane Biology, 2021 - Springer
G protein-coupled receptors (GPCRs) are integral membrane proteins that transduce a wide
array of inputs including light, ions, hormones, and neurotransmitters into intracellular …