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 …

[HTML][HTML] 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 …

[HTML][HTML] Anomalous diffusion models and their properties: non-stationarity, non-ergodicity, and ageing at the centenary of single particle tracking

R Metzler, JH Jeon, AG Cherstvy… - Physical Chemistry …, 2014 - pubs.rsc.org
Modern microscopic techniques following the stochastic motion of labelled tracer particles
have uncovered significant deviations from the laws of Brownian motion in a variety of …

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 …

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 …

Manipulation and motion of organelles and single molecules in living cells

K Norregaard, R Metzler, CM Ritter… - Chemical …, 2017 - ACS Publications
The biomolecule is among the most important building blocks of biological systems, and a
full understanding of its function forms the scaffold for describing the mechanisms of higher …

[HTML][HTML] Role of the lipid bilayer in outer membrane protein folding in Gram-negative bacteria

JE Horne, DJ Brockwell, SE Radford - Journal of Biological Chemistry, 2020 - ASBMB
β-Barrel outer membrane proteins (OMPs) represent the major proteinaceous component of
the outer membrane (OM) of Gram-negative bacteria. These proteins perform key roles in …

[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 …

Anomalous diffusion, aging, and nonergodicity of scaled Brownian motion with fractional Gaussian noise: Overview of related experimental observations and models

W Wang, R Metzler, AG Cherstvy - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
How does a systematic time-dependence of the diffusion coefficient D (t) affect the ergodic
and statistical characteristics of fractional Brownian motion (FBM)? Here, we answer this …

[HTML][HTML] 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 …