The impact of molecular dynamics (MD) simulations in molecular biology and drug discovery
has expanded dramatically in recent years. These simulations capture the behavior of …

This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

Szent-Győrgi called water the “matrix of life” and claimed that there was no life without it.
This statement is true, as far as we know, on our planet, but it is not clear whether it must …

Engineered wettability is a traditional, yet key issue in surface science and attracts
tremendous interest in solving large‐scale practical problems. Recently, different super …

Confinement of matter on the nanometre scale can induce phase transitions not seen in bulk
systems. In the case of water, so-called drying transitions occur on this scale,,, as a result of …

When Szent-Györgyi called water the “matrix of life”, 1 he was echoing an old sentiment.
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …

Biological ion channels are nanoscale transmembrane pores. When water and ions are
enclosed within the narrow confines of a sub-nanometer hydrophobic pore, they exhibit …

We use molecular dynamics simulations to study osmotically driven transport of water
molecules through hexagonally packed carbon nanotube membranes. Our simulation setup …

The nicotinic acetylcholine receptor controls electrical signalling between nerve and muscle
cells by opening and closing a gated, membrane-spanning pore. Here we present an atomic …

Abstract α-Hemolysin of Staphylococcus aureus is a self-assembling toxin that forms a water-
filled transmembrane channel upon oligomerization in a lipid membrane. Apart from being …