Computational modeling of realistic cell membranes
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 …
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
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 …
composition and structure, functional over a wide range of time scales, and characterized by …
LiPyphilic: A Python toolkit for the analysis of lipid membrane simulations
Molecular dynamics simulations are now widely used to study emergent phenomena in lipid
membranes with complex compositions. Here, we present LiPyphilic—a fast, fully tested …
membranes with complex compositions. Here, we present LiPyphilic—a fast, fully tested …
Recent advances in coarse-grained models for biomolecules and their applications
N Singh, W Li - International journal of molecular sciences, 2019 - mdpi.com
Molecular dynamics simulations have emerged as a powerful tool to study biological
systems at varied length and timescales. The conventional all-atom molecular dynamics …
systems at varied length and timescales. The conventional all-atom molecular dynamics …
Nonconverged constraints cause artificial temperature gradients in lipid bilayer simulations
Molecular dynamics (MD) simulations have become an indispensable tool to investigate
phase separation in model membrane systems. In particular, simulations based on coarse …
phase separation in model membrane systems. In particular, simulations based on coarse …
Capturing biologically complex tissue-specific membranes at different levels of compositional complexity
HI Ingólfsson, H Bhatia, T Zeppelin… - The Journal of …, 2020 - ACS Publications
Plasma membranes (PMs) contain hundreds of different lipid species that contribute
differently to overall bilayer properties. By modulation of these properties, membrane protein …
differently to overall bilayer properties. By modulation of these properties, membrane protein …
HIV-1 Gag specifically restricts PI (4, 5) P2 and cholesterol mobility in living cells creating a nanodomain platform for virus assembly
HIV-1 Gag protein assembles at the plasma membrane of infected cells for viral particle
formation. Gag targets lipids, mainly PI (4, 5) P2, at the inner leaflet of this membrane. Here …
formation. Gag targets lipids, mainly PI (4, 5) P2, at the inner leaflet of this membrane. Here …
Nanoscale dynamics of cholesterol in the cell membrane
K Pinkwart, F Schneider, M Lukoseviciute… - Journal of Biological …, 2019 - ASBMB
Cholesterol constitutes∼ 30–40% of the mammalian plasma membrane, a larger fraction
than of any other single component. It is a major player in numerous signaling processes as …
than of any other single component. It is a major player in numerous signaling processes as …
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 …
registration, which is important in maintaining proper biological functions. Factors such as …
[HTML][HTML] Interleaflet Coupling of Lipid Nanodomains – Insights From in vitro Systems
The plasma membrane is a complex system, consisting of two layers of lipids and proteins
compartmentalized into small structures called nanodomains. Despite the asymmetric …
compartmentalized into small structures called nanodomains. Despite the asymmetric …