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 …

The combination of biology and nanotechnology has led to a new generation of
nanodevices that make it possible to characterize the chemical, mechanical, and other …

Molecular dynamics (MD) simulation has become a common technique to study biological
systems. Transport of small molecules through carbon nanotubes and membrane proteins …

We study the transport of dextran sulfate molecules (M w= 8000 Da) through a bacterial α-
hemolysin channel inserted into a bilayer lipid membrane submitted to an external electric …

In a previous study of ion selectivity of α-hemolysin (αHL) in complex with β-cyclodextrin
(βCD) adapter, we calculated the potential of mean force (PMF) and characterized the self …

The MARTINI coarse-grained (CG) force field is used to test the ability of CG models to
simulate ionic transport through protein nanopores. The ionic conductivity of CG ions in …

The α-hemolysin toxin self-assembles in lipid bilayers to form water-filled pores. In recent
years, α-hemolysin has received great attention, mainly due to its possible usage as a …

The macroscopic Nernst-Planck (NP) theory has often been used for predicting ion channel
currents in recent years, but the validity of this theory at the microscopic scale has not been …

Molecular dynamics (MD) simulation was performed to investigate the ionic current through
charged nanopores, and the results were compared with the calculation of Poisson–Nernst …

The alpha-hemolysin (AHL) nanochannel is a non-selective channel that allows for
uncontrolled transport of small molecules across membranes leading to cell death. Although …