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

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 …

The transport of water and ions through membranes formed from carbon nanotubes ranging
in diameter from 6 to 11 Å is studied using molecular dynamics simulations under …

Water molecules confined to nonpolar pores and cavities of nanoscopic dimensions exhibit
highly unusual properties. Water filling is strongly cooperative, with the possible coexistence …

In this review, the application of a wide variety of external electric fields in molecular
simulation shall be discussed, including time-varying and electromagnetic, as well as the …

The behaviour of water in nanopores is very different from that of bulk water,. Close to
hydrophobic surfaces, the water density has been found to be lower than in the bulk, and if …

Hydrophobicity manifests itself differently on large and small length scales. This review
focuses on large-length-scale hydrophobicity, particularly on dewetting at single …

Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …

Presently, most simulations of ion channel function rely upon nonatomistic Brownian
dynamics calculations, indirect interpretation of energy maps, or application of external …

Nanofluidic channels with tailored ion transport dynamics are usually used as channels for
ion transport, to enable high-performance ion regulation behaviors. The rational construction …