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 …

The discovery of alternative signaling pathways that regulate cell death has revealed
multiple strategies for promoting cell death with diverse consequences at the tissue and …

The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

We review a selection of methods for performing enhanced sampling in molecular dynamics
simulations. We consider methods based on collective variable biasing and on tempering …

We present an improved and extended version of our coarse grained lipid model. The new
version, coined the MARTINI force field, is parametrized in a systematic way, based on the …

Molecular permeation through lipid membranes is a fundamental biological process that is
important for small neutral molecules and drug molecules. Precise characterization of free …

The basic amino acids lysine (Lys) and arginine (Arg) play important roles in membrane
protein activity, the sensing of membrane voltages, and the actions of antimicrobial, toxin …

A large variety of antimicrobial peptides have been shown to act, at least in vitro, by poration
of the lipid membrane. The nanometre size of these pores, however, complicates their …

Nanotechnology is a multidisciplinary field that covers a vast and diverse array of devices
and machines derived from engineering, physics, materials science, chemistry and biology …

The recombinant HIV-1 Tat protein contains a small region corresponding to residues
47YGRKKRRQRR57R, which is capable of translocating cargoes of different molecular …