Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

Nano-based eye drop: Topical and noninvasive therapy for ocular diseases

C Wang, Y Pang - Advanced drug delivery reviews, 2023 - Elsevier
Eye drops are the most accessible therapy for ocular diseases, while inevitably suffering
from their lower bioavailability which highly restricts the treatment efficacy. The introduction …

Converting nanotoxicity data to information using artificial intelligence and simulation

X Yan, T Yue, DA Winkler, Y Yin, H Zhu… - Chemical …, 2023 - ACS Publications
Decades of nanotoxicology research have generated extensive and diverse data sets.
However, data is not equal to information. The question is how to extract critical information …

Understanding the nano-bio interfaces: Lipid-coatings for inorganic nanoparticles as promising strategy for biomedical applications

A Luchini, G Vitiello - Frontiers in chemistry, 2019 - frontiersin.org
Inorganic nanoparticles (NPs) exhibit relevant physical properties for application in
biomedicine and specifically for both the diagnosis and therapy (ie theranostic) of severe …

Impact of biogenic and chemogenic selenium nanoparticles on model eukaryotic lipid membranes

E Piacenza, K Sule, A Presentato, F Wells, RJ Turner… - Langmuir, 2023 - ACS Publications
Microbial nanotechnology is an expanding research area devoted to producing biogenic
metal and metalloid nanomaterials (NMs) using microorganisms. Often, biogenic NMs are …

Ligand Lipophilicity Determines Molecular Mechanisms of Nanoparticle Adsorption to Lipid Bilayers

CA Huang-Zhu, JK Sheavly, AK Chew, SJ Patel… - ACS …, 2024 - ACS Publications
The interactions of ligand-functionalized nanoparticles with the cell membrane affect cellular
uptake, cytotoxicity, and related behaviors, but relating these interactions to ligand …

Unveiling Interactions of Tumor-Targeting Nanoparticles with Lipid Bilayers Using a Titratable Martini Model

Y Cao, J Zhu, J Kou, DP Tieleman… - Journal of Chemical …, 2024 - ACS Publications
pH-responsive nanoparticles are ideal vehicles for drug delivery and are widely used in cell
imaging in targeted therapy of cancer, which usually has a weakly acidic microenvironment …

The role of temperature and lipid charge on intake/uptake of cationic gold nanoparticles into lipid bilayers

F Lolicato, L Joly, H Martinez‐Seara, G Fragneto… - Small, 2019 - Wiley Online Library
Understanding the molecular mechanisms governing nanoparticle–membrane interactions
is of prime importance for drug delivery and biomedical applications. Neutron reflectometry …

Computational investigation on lipid bilayer disruption induced by amphiphilic Janus nanoparticles: combined effect of Janus balance and charged lipid concentration

D Nguyen, J Wu, P Corrigan, Y Li - Nanoscale, 2023 - pubs.rsc.org
Janus nanoparticles (NPs) with charged/hydrophobic compartments have garnered
attention for their potential antimicrobial activity. These NPs have been shown to disrupt lipid …

Energy landscape for the insertion of amphiphilic nanoparticles into lipid membranes: A computational study

RC Van Lehn, A Alexander-Katz - PLoS One, 2019 - journals.plos.org
Amphiphilic, monolayer-protected gold nanoparticles (NPs) have been shown to enter cells
via a non-endocytic, non-disruptive pathway that could be valuable for biomedical …