Curvature energetics determined by alchemical simulation on four topologically distinct lipid phases

AH Beaven, C Arnarez, E Lyman… - The Journal of …, 2021 - ACS Publications
The relative curvature energetics of two lipids are tested using thermodynamic integration
(TI) on four topologically distinct lipid phases. Simulations use TI to switch between choline …

Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations

HJ Risselada, SJ Marrink - Physical Chemistry Chemical Physics, 2009 - pubs.rsc.org
The molecular packing details of lipids in planar bilayers are well characterized. For curved
bilayers, however, little data is available. In this paper we study the effect of temperature and …

Bending free energy from simulation: correspondence of planar and inverse hexagonal lipid phases

AJ Sodt, RW Pastor - Biophysical journal, 2013 - cell.com
Simulations of two distinct systems, one a planar bilayer, the other the inverse hexagonal
phase, indicate consistent mechanical properties and curvature preferences, with single …

[HTML][HTML] Determining the pivotal plane of fluid lipid membranes in simulations

X Wang, M Deserno - The Journal of chemical physics, 2015 - pubs.aip.org
Each leaflet of a curved lipid membrane contains a surface at which the area strain
vanishes, the so-called pivotal plane. Its distance z 0 from the bilayer's midplane arises in …

Determination of biomembrane bending moduli in fully atomistic simulations

ZA Levine, RM Venable, MC Watson… - Journal of the …, 2014 - ACS Publications
The bilayer bending modulus (K c) is one of the most important physical constants
characterizing lipid membranes, but precisely measuring it is a challenge, both …

Determination of mean and Gaussian curvatures of highly curved asymmetric lipid bilayers: the case study of the influence of cholesterol on the membrane shape

SO Yesylevskyy, C Ramseyer - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
Although molecular dynamics simulations of highly curved lipid bilayers have become
increasingly popular in recent years, there is no simple and general method of computing …

[HTML][HTML] Lipids with bulky head groups generate large membrane curvatures by small compositional asymmetries

A Sreekumari, R Lipowsky - The Journal of chemical physics, 2018 - pubs.aip.org
Glycolipids such as GM1 have bulky head groups consisting of several monosaccharides.
When these lipids are added to phospholipid bilayers, they generate large membrane …

Self-consistent field modeling of mesomorphic phase changes of monoolein and phospholipids in response to additives

N De Lange, JM Kleijn, FAM Leermakers - … Chemistry Chemical Physics, 2021 - pubs.rsc.org
Mapping the topological phase behaviour of lipids in aqueous solution is time consuming
and finding the ideal lipid system for a desired application is often a matter of trial and error …

Intrinsic curvature-mediated transbilayer coupling in asymmetric lipid vesicles

B Eicher, D Marquardt, FA Heberle, I Letofsky-Papst… - Biophysical journal, 2018 - cell.com
We measured the effect of intrinsic lipid curvature, J 0, on structural properties of asymmetric
vesicles made of palmitoyl-oleoyl-phosphatidylethanolamine (POPE; J 0< 0) and palmitoyl …

[HTML][HTML] Rational design of lipid molecular structure: a case study involving the C19: 1c10 monoacylglycerol

Y Misquitta, M Caffrey - Biophysical Journal, 2001 - cell.com
The phase properties of lipids have far-reaching consequences in membrane biology. Their
influence ranges from domain formation in intact biomembranes to membrane protein …