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 …

Developing and testing of lipid force fields with applications to modeling cellular membranes

AN Leonard, E Wang, V Monje-Galvan… - Chemical …, 2019 - ACS Publications
The amphipathic nature of the lipid molecule (hydrophilic head and hydrophobic tails)
enables it to act as a barrier between fluids with various properties and to sustain an …

Wrapping anisotropic microgel particles in lipid membranes: Effects of particle shape and membrane rigidity

X Liu, T Auth, N Hazra, MF Ebbesen… - Proceedings of the …, 2023 - National Acad Sciences
Cellular engulfment and uptake of macromolecular assemblies or nanoparticles via
endocytosis can be associated to both healthy and disease-related biological processes as …

Molecular dynamics for antimicrobial peptide discovery

N Palmer, JRMA Maasch, MDT Torres… - Infection and …, 2021 - Am Soc Microbiol
Although antimicrobial resistance is an increasingly significant public health concern, there
have only been two new classes of antibiotics approved for human use since the 1960s …

Flipped C-terminal ends of apoA1 promote ABCA1-dependent cholesterol efflux by small HDLs

Y He, C Pavanello, PM Hutchins, C Tang… - Circulation, 2024 - Am Heart Assoc
BACKGROUND: Cholesterol efflux capacity (CEC) predicts cardiovascular disease
independently of high-density lipoprotein (HDL) cholesterol levels. Isolated small HDL …

Designer high-density lipoprotein particles enhance endothelial barrier function and suppress inflammation

YC Lin, S Swendeman, IS Moreira, A Ghosh, A Kuo… - Science …, 2024 - science.org
High-density lipoprotein (HDL) nanoparticles promote endothelial cell (EC) function and
suppress inflammation, but their utility in treating EC dysfunction has not been fully explored …

[HTML][HTML] Exceptional stability of a perilipin on lipid droplets depends on its polar residues, suggesting multimeric assembly

M Gimenez-Andres, T Emeršič, S Antoine-Bally… - Elife, 2021 - elifesciences.org
Numerous proteins target lipid droplets (LDs) through amphipathic helices (AHs). It is
generally assumed that AHs insert bulky hydrophobic residues in packing defects at the LD …

[HTML][HTML] Artificial high density lipoprotein nanoparticles in cardiovascular research

K Kornmueller, I Vidakovic, R Prassl - Molecules, 2019 - mdpi.com
Lipoproteins are endogenous nanoparticles which are the major transporter of fats and
cholesterol in the human body. They play a key role in the regulatory mechanisms of …

Confinement in nanodiscs anisotropically modifies lipid bilayer elastic properties

I Schachter, C Allolio, G Khelashvili… - The Journal of Physical …, 2020 - ACS Publications
Lipid nanodiscs are small synthetic lipid bilayer structures that are stabilized in solution by
special circumscribing (or scaffolding) proteins or polymers. Because they create native-like …

Reconfigurable peptide analogs of apolipoprotein ai reveal tunable features of nanodisc assembly

D Xu, X Chen, Y Li, Z Chen, W Xu, X Wang, Y Lv… - Langmuir, 2023 - ACS Publications
Nanodisc (ND)-forming membrane scaffold proteins or peptides developed from
apolipoprotein AI (apoA-I) have led to considerable promise in structural biology and …