Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

The power of coarse graining in biomolecular simulations

HI Ingólfsson, CA Lopez, JJ Uusitalo… - Wiley …, 2014 - Wiley Online Library
Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …

CHARMM-GUI martini maker for coarse-grained simulations with the martini force field

Y Qi, HI Ingólfsson, X Cheng, J Lee… - Journal of chemical …, 2015 - ACS Publications
Coarse-grained simulations are widely used to study large biological systems. Nonetheless,
building such simulation systems becomes nontrivial, especially when membranes with …

Microfluidic methods for forming liposomes

D van Swaay, A DeMello - Lab on a Chip, 2013 - pubs.rsc.org
Liposome structures have a wide range of applications in biology, biochemistry, and
biophysics. As a result, several methods for forming liposomes have been developed. This …

[HTML][HTML] Permeability across lipid membranes

W Shinoda - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2016 - Elsevier
Molecular permeation through lipid membranes is a fundamental biological process that is
important for small neutral molecules and drug molecules. Precise characterization of free …

Pragmatic coarse-graining of proteins: models and applications

L Borges-Araújo, I Patmanidis, AP Singh… - Journal of Chemical …, 2023 - ACS Publications
The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …

Vesicle-based artificial cells: materials, construction methods and applications

Y Lu, G Allegri, J Huskens - Materials horizons, 2022 - pubs.rsc.org
The construction of artificial cells with specific cell-mimicking functions helps to explore
complex biological processes and cell functions in natural cell systems and provides an …

Development of the iLiNP device: fine tuning the lipid nanoparticle size within 10 nm for drug delivery

N Kimura, M Maeki, Y Sato, Y Note, A Ishida, H Tani… - ACS …, 2018 - ACS Publications
The precise size control of the lipid nanoparticle (LNP)-based nanodrug delivery system
(DDS) carriers, such as 10 nm size tuning of LNPs, is one major challenge for the …

Triglyceride lipolysis triggers liquid crystalline phases in lipid droplets and alters the LD proteome

S Rogers, L Gui, A Kovalenko, V Zoni… - Journal of Cell …, 2022 - rupress.org
Lipid droplets (LDs) are reservoirs for triglycerides (TGs) and sterol-esters (SEs), but how
these lipids are organized within LDs and influence their proteome remain unclear. Using in …

Seipin accumulates and traps diacylglycerols and triglycerides in its ring-like structure

V Zoni, R Khaddaj, I Lukmantara… - Proceedings of the …, 2021 - National Acad Sciences
Lipid droplets (LDs) are intracellular organelles responsible for lipid storage, and they
emerge from the endoplasmic reticulum (ER) upon the accumulation of neutral lipids, mostly …