Liposomes are nano-sized spherical vesicles composed of an aqueous core surrounded by
one (or more) phospholipid bilayer shells. Owing to their high biocompatibility, chemical …

Many researchers are currently developing emulsion-based delivery systems to increase the
bioavailability of lipophilic bioactive agents, such as oil-soluble vitamins, nutraceuticals, and …

We extend the modular AMBER lipid force field to include anionic lipids, polyunsaturated
fatty acid (PUFA) lipids, and sphingomyelin, allowing the simulation of realistic cell …

Cellular protrusions, invaginations, and many intracellular organelles have strongly curved
membrane regions. Transmembrane and peripheral membrane proteins that induce, sense …

Proper treatment of nonbonded interactions is essential for the accuracy of molecular
dynamics (MD) simulations, especially in studies of lipid mono-and bilayers. The use of the …

For over 100 years, the Nernst–Einstein relation has linked a charged particle's
electrophoretic mobility and diffusion coefficient. Here we report experimental …

The AMBER lipid force field has been updated to create Lipid14, allowing tensionless
simulation of a number of lipid types with the AMBER MD package. The modular nature of …

Although giant unilamellar vesicles (GUVs) have been extensively studied as synthetic cell-
like microcompartments, their applicability as cytomimetic models is severely compromised …

Abstract The Orientations of Proteins in Membranes (OPM) database is a curated web
resource that provides spatial positions of membrane-bound peptides and proteins of known …

The conversion of coarse-grained to atomistic models is an important step in obtaining
insight about atomistic scale processes from coarse-grained simulations. For this process …