[HTML][HTML] Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their …

A Bunker, A Magarkar, T Viitala - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Combined experimental and computational studies of lipid membranes and liposomes, with
the aim to attain mechanistic understanding, result in a synergy that makes possible the …

[HTML][HTML] Lipids on the move: simulations of membrane pores, domains, stalks and curves

SJ Marrink, AH De Vries, DP Tieleman - Biochimica et Biophysica Acta …, 2009 - Elsevier
In this review we describe the state-of-the-art of computer simulations studies of lipid
membranes. We focus on collective lipid–lipid and lipid–protein interactions that trigger …

Phase-field modeling of the dynamics of multicomponent vesicles: Spinodal decomposition, coarsening, budding, and fission

JS Lowengrub, A Rätz, A Voigt - Physical Review E—Statistical, Nonlinear, and …, 2009 - APS
We develop a thermodynamically consistent phase-field model to simulate the dynamics of
multicomponent vesicles. The model accounts for bending stiffness, spontaneous curvature …

Modeling membrane curvature generation due to membrane–protein interactions

H Alimohamadi, P Rangamani - Biomolecules, 2018 - mdpi.com
To alter and adjust the shape of the plasma membrane, cells harness various mechanisms
of curvature generation. Many of these curvature generation mechanisms rely on the …

Cryo-electron tomography of nanoparticle transmigration into liposome

O Le Bihan, P Bonnafous, L Marak, T Bickel… - Journal of structural …, 2009 - Elsevier
Nanoparticle transport across cell membrane plays a crucial role in the development of drug
delivery systems as well as in the toxicity response induced by nanoparticles. As hydrophilic …

Vesicles balance osmotic stress with bending energy that can be released to form daughter vesicles

X Liu, J Stenhammar, H Wennerström… - The Journal of Physical …, 2022 - ACS Publications
The bending energy of the lipid membrane is central to biological processes involving
vesicles, such as endocytosis and exocytosis. To illustrate the role of bending energy in …

Shocker─ A Molecular Dynamics Protocol and Tool for Accelerating and Analyzing the Effects of Osmotic Shocks

MPA van Tilburg, SJ Marrink, M König… - Journal of Chemical …, 2023 - ACS Publications
The process of osmosis, a fundamental phenomenon in life, drives water through a
semipermeable membrane in response to a solute concentration gradient across this …

Membrane simulation models from nanometer to micrometer scale

H Noguchi - Journal of the Physical Society of Japan, 2009 - journals.jps.jp
Recent developments in lipid membrane models for simulations are reviewed. To reduce
computational costs, various coarse-grained molecular models have been proposed …

Dynamics of multicomponent vesicles in a viscous fluid

JS Sohn, YH Tseng, S Li, A Voigt… - Journal of Computational …, 2010 - Elsevier
We develop and investigate numerically a thermodynamically consistent model of two-
dimensional multicomponent vesicles in an incompressible viscous fluid. The model is …

Parameterization of PACE force field for membrane environment and simulation of helical peptides and helix–helix association

CK Wan, W Han, YD Wu - Journal of chemical theory and …, 2012 - ACS Publications
The recently developed PACE force field was further parametrized so that it can be applied
to the studies of membrane systems. Parameters for the interactions between united-atom …