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 …

Cholesterol metabolism in neurodegenerative diseases: molecular mechanisms and therapeutic targets

L Dai, L Zou, L Meng, G Qiang, M Yan, Z Zhang - Molecular neurobiology, 2021 - Springer
Cholesterol is an indispensable component of the cell membrane and plays vital roles in
critical physiological processes. Brain cholesterol accounts for a large portion of total …

Phosphatidylserine in the brain: metabolism and function

HY Kim, BX Huang, AA Spector - Progress in lipid research, 2014 - Elsevier
Phosphatidylserine (PS) is the major anionic phospholipid class particularly enriched in the
inner leaflet of the plasma membrane in neural tissues. PS is synthesized from …

Phosphatidylserine, inflammation, and central nervous system diseases

X Ma, X Li, W Wang, M Zhang, B Yang… - Frontiers in aging …, 2022 - frontiersin.org
Phosphatidylserine (PS) is an anionic phospholipid in the eukaryotic membrane and is
abundant in the brain. Accumulated studies have revealed that PS is involved in the multiple …

Cholesterol level affects surface charge of lipid membranes in saline solution

A Magarkar, V Dhawan, P Kallinteri, T Viitala… - Scientific reports, 2014 - nature.com
Cholesterol is an important component of all biological membranes as well as drug delivery
liposomes. We show here that increasing the level of cholesterol in a phospholipid …

The compendium of self-enactable techniques to change and self-manage motivation and behaviour v. 1.0

K Knittle, M Heino, MM Marques, M Stenius… - Nature Human …, 2020 - nature.com
Behaviour change techniques describe the content of behaviour change interventions, but
do not adequately account for the actions that people must themselves undertake to …

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 …

A perspective: active role of lipids in neurotransmitter dynamics

PA Postila, T Róg - Molecular Neurobiology, 2020 - Springer
Synaptic neurotransmission is generally considered as a function of membrane-embedded
receptors and ion channels in response to the neurotransmitter (NT) release and binding …

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 …