Emerging applications of polymersomes in delivery: from molecular dynamics to shrinkage of tumors

DE Discher, V Ortiz, G Srinivas, ML Klein, Y Kim… - Progress in polymer …, 2007 - Elsevier
Polymersomes are self-assembled shells of amphiphilic block copolymers that are currently
being developed by many groups for fundamental insights into the nature of self-assembled …

[HTML][HTML] Molecular simulations of PEGylated biomolecules, liposomes, and nanoparticles for drug delivery applications

H Lee - Pharmaceutics, 2020 - mdpi.com
Since the first polyethylene glycol (PEG) ylated protein was approved by the FDA in 1990,
PEGylation has been successfully applied to develop drug delivery systems through …

MARTINI coarse-grained models of polyethylene and polypropylene

E Panizon, D Bochicchio, L Monticelli… - The Journal of Physical …, 2015 - ACS Publications
The understanding of the interaction of nanoplastics with living organisms is crucial both to
assess the health hazards of degraded plastics and to design functional polymer …

Coarse-grained model for PEGylated lipids: effect of PEGylation on the size and shape of self-assembled structures

H Lee, RW Pastor - The Journal of Physical Chemistry B, 2011 - ACS Publications
Self-assembly of polyethylene glycol (PEG)-grafted lipids at different sizes and
concentrations was simulated using the MARTINI coarse-grained (CG) force field. The …

Predicting the solubility of the anti-cancer agent docetaxel in small molecule excipients using computational methods

L Huynh, J Grant, JC Leroux, P Delmas… - Pharmaceutical research, 2008 - Springer
Purpose To develop an in silico model that provides an accurate prediction of the relative
solubility of the lipophilic anticancer agent docetaxel in various excipients. Materials and …

PEO-b-PBD Diblock Copolymers Induce Packing Defects in Lipid/Hybrid Membranes and Improve Insertion Rates of Natively Folded Peptides

J Steinkuhler, ML Jacobs, MA Boyd… - …, 2022 - ACS Publications
Hybrid membranes assembled from biological lipids and synthetic polymers are a promising
scaffold for the reconstitution and utilization of membrane proteins. Recent observations …

Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure

S Nawaz, M Redhead, G Mantovani, C Alexander… - Soft Matter, 2012 - pubs.rsc.org
Poly (ethylene oxide)(PEO) and poly (propylene oxide)(PPO) block co-polymers (PEO–PPO–
PEO, sold as Pluronics, Poloxamers, Tetronics) are a widely used class of amphiphilic …

Absorption of Polypropylene in Dipalmitoylphosphatidylcholine Membranes: The Role of Molecular Weight and Initial Configuration of Polymer Chains

I Munafò, D Costa, G Milano… - The Journal of Physical …, 2024 - ACS Publications
We study by molecular dynamics simulations the absorption of polypropylene (PP) chains
within a dipalmitoylphosphatidylcholine (DPPC) lipid membrane in aqueous solvent. DPPC …

Modeling the effect of nano-sized polymer particles on the properties of lipid membranes

G Rossi, L Monticelli - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
The interaction between polymers and biological membranes has recently gained significant
interest in several research areas. On the biomedical side, dendrimers, linear …

Simulating the interaction of lipid membranes with polymer and ligand-coated nanoparticles

G Rossi, L Monticelli - Advances in Physics: X, 2016 - Taylor & Francis
Nanoscience and nanotechnology are undergoing rapid expansion owing to the promise of
breakthroughs in key sectors, such as energy and medicine. As for medicine, interaction of …