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 …

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 …

Protein crowding in lipid bilayers gives rise to non-Gaussian anomalous lateral diffusion of phospholipids and proteins

JH Jeon, M Javanainen, H Martinez-Seara, R Metzler… - Physical Review X, 2016 - APS
Biomembranes are exceptionally crowded with proteins with typical protein-to-lipid ratios
being around 1∶ 50− 1∶ 100. Protein crowding has a decisive role in lateral membrane …

An extension and further validation of an all-atomistic force field for biological membranes

JPM Jambeck, AP Lyubartsev - Journal of chemical theory and …, 2012 - ACS Publications
Biological membranes are versatile in composition and host intriguing molecular processes.
In order to be able to study these systems, an accurate model Hamiltonian or force field (FF) …

[HTML][HTML] Ordering effects of cholesterol and its analogues

T Róg, M Pasenkiewicz-Gierula, I Vattulainen… - … et Biophysica Acta (BBA …, 2009 - Elsevier
Without any exaggeration, cholesterol is one of the most important lipid species in eukaryotic
cells. Its effects on cellular membranes and functions range from purely mechanistic to …

[HTML][HTML] Non-Brownian diffusion in lipid membranes: Experiments and simulations

R Metzler, JH Jeon, AG Cherstvy - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
The dynamics of constituents and the surface response of cellular membranes—also in
connection to the binding of various particles and macromolecules to the membrane—are …

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 …

Anomalous diffusion of phospholipids and cholesterols in a lipid bilayer and its origins

JH Jeon, HMS Monne, M Javanainen, R Metzler - Physical review letters, 2012 - APS
Combining extensive molecular dynamics simulations of lipid bilayer systems of varying
chemical compositions with single-trajectory analyses, we systematically elucidate the …

Lateral diffusion of membrane proteins

S Ramadurai, A Holt, V Krasnikov… - Journal of the …, 2009 - ACS Publications
We measured the lateral mobility of integral membrane proteins reconstituted in giant
unilamellar vesicles (GUVs), using fluorescence correlation spectroscopy. Receptor …

[HTML][HTML] Lipids on the move: simulations of membrane pores, domains, stalks and curves

SJ Marrink, AH De Vries, DP Tieleman - Biochimica et Biophysica Acta …, 2009 - Elsevier
In this review we describe the state-of-the-art of computer simulations studies of lipid
membranes. We focus on collective lipid–lipid and lipid–protein interactions that trigger …