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 …

Advantages of the classical thermodynamic analysis of single—and multi-component Langmuir monolayers from molecules of biomedical importance—theory and …

P Dynarowicz-Latka, A Wnętrzak… - Journal of the …, 2024 - royalsocietypublishing.org
The Langmuir monolayer technique has been successfully used for decades to model
biological membranes and processes occurring at their interfaces. Classically, this method …

Dysregulation of cellular membrane homeostasis as a crucial modulator of cancer risk

A Erazo‐Oliveras, M Muñoz‐Vega… - The FEBS …, 2024 - Wiley Online Library
Cellular membranes serve as an epicentre combining extracellular and cytosolic
components with membranous effectors, which together support numerous fundamental …

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 …

Cholesterol protects the liquid-ordered phase of raft model membranes from the destructive effect of ionic liquids

XL Hao, B Cao, D Dai, FG Wu… - The Journal of Physical …, 2022 - ACS Publications
Ionic liquids (ILs), although being a class of promising green solvents, have received many
reports on the toxicity to living organisms. In this work, aiming at elucidating the disruptive …

Protein crowding and cholesterol increase cell membrane viscosity in a temperature dependent manner

B Fábián, I Vattulainen… - Journal of Chemical Theory …, 2023 - ACS Publications
Shear viscosity of lipid membranes dictates how fast lipids, proteins, and other membrane
constituents travel along the membrane and rotate around their principal axis, thus …

Effects of hydrophobic gold nanoparticles on structure and fluidity of SOPC lipid membranes

PB Santhosh, T Tenev, L Šturm, NP Ulrih… - International Journal of …, 2023 - mdpi.com
Gold nanoparticles (AuNPs) are promising candidates in various biomedical applications
such as sensors, imaging, and cancer therapy. Understanding the influence of AuNPs on …

Phase transition and phase separation in realistic thylakoid lipid membrane of marine algae in all-atom simulations

AK Rathod, D Chavda, M Manna - Journal of Chemical …, 2023 - ACS Publications
Thylakoid membranes are specialized membranes predominantly composed of uncommon
galacto-and sulfolipids, having distinct roles in photosynthesis. Large acyl chain variety and …

Protein-Mediated Changes in Membrane Fluidity and Ordering: Insights into the Molecular Mechanism and Implications for Cellular Function

V Gunwant, P Gahtori, SR Varanasi… - The Journal of Physical …, 2024 - ACS Publications
Probing protein–membrane interactions is vital for understanding biological functionality for
various applications such as drug development, targeted drug delivery, and creation of …

Understanding the free-energy landscape of phase separation in lipid bilayers using molecular dynamics

AJ Poruthoor, A Sharma, A Grossfield - Biophysical Journal, 2023 - cell.com
Liquid-liquid phase separation inside the cell often results in biological condensates that
can critically affect cell homeostasis. Such phase separation events occur in multiple parts of …