Molecular dynamics simulations of curved lipid membranes

AH Larsen - International Journal of Molecular Sciences, 2022 - mdpi.com
Eukaryotic cells contain membranes with various curvatures, from the near-plane plasma
membrane to the highly curved membranes of organelles, vesicles, and membrane …

Simulation study of membrane bending by protein crowding: a case study with the epsin N-terminal homology domain

T Mandal, S Gupta, J Soni - Soft Matter, 2023 - pubs.rsc.org
The mechanisms by which peripheral membrane proteins generate curvature is currently an
active area of research. One of the proposed mechanisms is amphipathic insertion or the …

Curvature Footprints of Transmembrane Proteins in Simulations with the Martini Force Field

EA Cino, DP Tieleman - The Journal of Physical Chemistry B, 2024 - ACS Publications
Membranes play essential roles in biological systems and are tremendously diverse in the
topologies and chemical and elastic properties that define their functions. In many cases, a …

Curvature-induced lipid sorting beyond the critical packing parameter

M Konig, R de Vries, F Grunewald, SJ Marrink… - bioRxiv, 2023 - biorxiv.org
Over the last few decades, the spatial organization of biomembranes has received a lot of
attention. With the fluid mosaic model, Singer and Nicolson proposed that biomembranes …

Curvature sensing lipid dynamics in a mitochondrial inner membrane model

VK Golla, KJ Boyd, ER May - Biophysical Journal, 2024 - cell.com
Membrane curvature is essential for many cellular structures and processes. Membrane
leaflet asymmetry, lipid composition, and proteins contribute to the generation, maintenance …

Origin of the nonlinear structural and mechanical properties in oppositely curved lipid mixtures

S Gupta, J Soni, A Kumar, T Mandal - The Journal of Chemical Physics, 2023 - pubs.aip.org
Structural and mechanical properties of membranes such as thickness, tail order, bending
modulus and curvature energetics play crucial role in controlling various cellular functions …

Nanoscale membrane curvature sorts lipid phases and alters lipid diffusion

X Woodward, M Javanainen, B Fábián, CV Kelly - Biophysical Journal, 2023 - cell.com
The precise spatiotemporal control of nanoscale membrane shape and composition is the
result of a complex interplay of individual and collective molecular behaviors. Here, we …

Analyzing lipid distributions and curvature in molecular dynamics simulations of complex membranes.

EA Cino, DP Ramirez-Echemendia, S Hu… - Methods in …, 2024 - europepmc.org
We describe methods to analyze lipid distributions and curvature in membranes with
complex lipid mixtures and embedded membrane proteins. We discuss issues involved in …

EGFR does not directly interact with cortical actin: A SRRF'n'TIRF Study

S Pandey, T Wohland - bioRxiv, 2024 - biorxiv.org
The epidermal growth factor receptor (EGFR) governs pivotal signaling pathways in cell
proliferation and survival, with mutations implicated in numerous cancers. The organization …

Modeling asymmetric cell membranes at all-atom resolution.

J Bodosa, AJ Pane, JB Klauda - Methods in Enzymology, 2024 - europepmc.org
Molecular dynamics (MD) simulations are a useful tool when studying the properties of
membranes as they allow for a molecular view of lipid interactions with proteins, nucleic …