Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

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 …

Shared structural mechanisms of general anaesthetics and benzodiazepines

JJ Kim, A Gharpure, J Teng, Y Zhuang, RJ Howard… - Nature, 2020 - nature.com
Most general anaesthetics and classical benzodiazepine drugs act through positive
modulation of γ-aminobutyric acid type A (GABAA) receptors to dampen neuronal activity in …

Cell-type-and brain-region-resolved mouse brain lipidome

D Fitzner, JM Bader, H Penkert, CG Bergner, M Su… - Cell reports, 2020 - cell.com
Gene and protein expression data provide useful resources for understanding brain
function, but little is known about the lipid composition of the brain. Here, we perform …

Raman spectroscopy in cell biology and microbiology

G Pezzotti - Journal of Raman Spectroscopy, 2021 - Wiley Online Library
The Raman spectrum of living cells and microorganisms contains highly specific fingerprint‐
like signatures, useful in unequivocally identifying different species and interpreting …

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–protein interactions are unique fingerprints for membrane proteins

V Corradi, E Mendez-Villuendas, HI Ingólfsson… - ACS central …, 2018 - ACS Publications
Cell membranes contain hundreds of different proteins and lipids in an asymmetric
arrangement. Our current understanding of the detailed organization of cell membranes …

The docking of synaptic vesicles on the presynaptic membrane induced by α-synuclein is modulated by lipid composition

WK Man, B Tahirbegi, MD Vrettas, S Preet… - Nature …, 2021 - nature.com
Abstract α-Synuclein (αS) is a presynaptic disordered protein whose aberrant aggregation is
associated with Parkinson's disease. The functional role of αS is still debated, although it …

Membrane lipid nanodomains

M Cebecauer, M Amaro, P Jurkiewicz… - Chemical …, 2018 - ACS Publications
Lipid membranes can spontaneously organize their components into domains of different
sizes and properties. The organization of membrane lipids into nanodomains might …

Studies on the mechanism of general anesthesia

MA Pavel, EN Petersen, H Wang… - Proceedings of the …, 2020 - National Acad Sciences
Inhaled anesthetics are a chemically diverse collection of hydrophobic molecules that
robustly activate TWIK-related K+ channels (TREK-1) and reversibly induce loss of …