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 …

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 …

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 …

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 …

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 …

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 …

[HTML][HTML] Mesenchymal stem cell attenuates spinal cord injury by inhibiting mitochondrial quality control-associated neuronal ferroptosis

S Yao, M Pang, Y Wang, X Wang, Y Lin, Y Lv, Z **e… - Redox Biology, 2023‏ - Elsevier
Ferroptosis is a newly discovered form of iron-dependent oxidative cell death and drives the
loss of neurons in spinal cord injury (SCI). Mitochondrial damage is a critical contributor to …

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 …

Martini 3 coarse-grained force field for cholesterol

L Borges-Araújo, AC Borges-Araújo… - Journal of Chemical …, 2023‏ - ACS Publications
Cholesterol plays a crucial role in biomembranes by regulating various properties, such as
fluidity, rigidity, permeability, and organization of lipid bilayers. The latest version of the …

Studies on the mechanism of general anesthesia

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