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 …
Cholesterol oxidation products and their biological importance
The main biological cause of oxysterols is the oxidation of cholesterol. They differ from
cholesterol by the presence of additional polar groups that are typically hydroxyl, keto …
cholesterol by the presence of additional polar groups that are typically hydroxyl, keto …
Quantitative comparison against experiments reveals imperfections in force fields' descriptions of popc–cholesterol interactions
M Javanainen, P Heftberger, JJ Madsen… - Journal of Chemical …, 2023 - ACS Publications
Cholesterol is a central building block in biomembranes, where it induces orientational
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …
Cholesterol, sphingolipids, and glycolipids: what do we know about their role in raft-like membranes?
T Róg, I Vattulainen - Chemistry and physics of lipids, 2014 - Elsevier
Lipids rafts are considered to be functional nanoscale membrane domains enriched in
cholesterol and sphingolipids, characteristic in particular of the external leaflet of cell …
cholesterol and sphingolipids, characteristic in particular of the external leaflet of cell …
Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol
M Manna, M Niemelä, J Tynkkynen, M Javanainen… - Elife, 2016 - elifesciences.org
There is evidence that lipids can be allosteric regulators of membrane protein structure and
activation. However, there are no data showing how exactly the regulation emerges from …
activation. However, there are no data showing how exactly the regulation emerges from …
Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration
A Maciejewski, M Pasenkiewicz-Gierula… - The Journal of …, 2014 - ACS Publications
We report parametrization of dipalmitoyl-phosphatidylcholine (DPPC) in the framework of
the Optimized Parameters for Liquid Simulations all-atom (OPLS-AA) force field. We chose …
the Optimized Parameters for Liquid Simulations all-atom (OPLS-AA) force field. We chose …
Predictable cholesterol binding sites in GPCRs lack consensus motifs
A rich diversity of transmembrane G protein-coupled receptors (GPCRs) are used by
eukaryotes to sense physical and chemical signals. In humans alone, 800 GPCRs comprise …
eukaryotes to sense physical and chemical signals. In humans alone, 800 GPCRs comprise …
An engineered thermal-shift screen reveals specific lipid preferences of eukaryotic and prokaryotic membrane proteins
Membrane bilayers are made up of a myriad of different lipids that regulate the functional
activity, stability, and oligomerization of many membrane proteins. Despite their importance …
activity, stability, and oligomerization of many membrane proteins. Despite their importance …
Cholesterol in Class C GPCRs: Role, relevance, and localization
G-protein coupled receptors (GPCRs), one of the largest superfamilies of cell-surface
receptors, are heptahelical integral membrane proteins that play critical roles in virtually …
receptors, are heptahelical integral membrane proteins that play critical roles in virtually …
Functional modulation of a G protein-coupled receptor conformational landscape in a lipid bilayer
M Casiraghi, M Damian, E Lescop, E Point… - Journal of the …, 2016 - ACS Publications
Mapping the conformational landscape of G protein-coupled receptors (GPCRs), and in
particular how this landscape is modulated by the membrane environment, is required to …
particular how this landscape is modulated by the membrane environment, is required to …