Liposomes are essentially a subtype of nanoparticles comprising a hydrophobic tail and a
hydrophilic head constituting a phospholipid membrane. The spherical or multilayered …

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 …

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 …

The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

Maintenance of lipid asymmetry across the two leaflets of the plasma membrane (PM)
bilayer is a ubiquitous feature of eukaryotic cells. Loss of this asymmetry has been widely …

The ability to efficiently access cytosolic proteins is desired in both biological research and
medicine. However, targeting intracellular proteins is often challenging, because to reach …

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 …

The detailed organization of cellular membranes remains rather elusive. Based on large-
scale molecular dynamics simulations, we provide a high-resolution view of the lipid …

The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …