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 …

Lipid organization of the plasma membrane

HI Ingólfsson, MN Melo, FJ Van Eerden… - Journal of the …, 2014‏ - ACS Publications
The detailed organization of cellular membranes remains rather elusive. Based on large-
scale molecular dynamics simulations, we provide a high-resolution view of the lipid …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013‏ - pubs.rsc.org
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

Improved parameters for the martini coarse-grained protein force field

DH De Jong, G Singh, WFD Bennett… - Journal of chemical …, 2013‏ - ACS Publications
The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …

Low membrane fluidity triggers lipid phase separation and protein segregation in living bacteria

M Gohrbandt, A Lipski, JW Grimshaw… - The EMBO …, 2022‏ - embopress.org
All living organisms adapt their membrane lipid composition in response to changes in their
environment or diet. These conserved membrane‐adaptive processes have been studied …

The power of coarse graining in biomolecular simulations

HI Ingólfsson, CA Lopez, JJ Uusitalo… - Wiley …, 2014‏ - Wiley Online Library
Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …

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 …

Mitochondrial lipid trafficking

T Tatsuta, M Scharwey, T Langer - Trends in cell biology, 2014‏ - cell.com
Mitochondria are dynamic organelles surrounded by two membranes with a defined lipid
composition. The majority of lipids are synthesized in the endoplasmic reticulum (ER) and …

Monolayer spontaneous curvature of raft-forming membrane lipids

B Kollmitzer, P Heftberger, M Rappolt, G Pabst - Soft matter, 2013‏ - pubs.rsc.org
Monolayer spontaneous curvatures for cholesterol, DOPE, POPE, DOPC, DPPC, DSPC,
POPC, SOPC, and egg sphingomyelin were obtained using small-angle X-ray scattering …