Lysosomes are membrane-bound organelles with an acidic lumen and are traditionally
characterized as a recycling center in cells. Lysosomal ion channels are integral membrane …

Ion channels are fundamental biological devices that act as gates in order to ensure
selective ion transport across cellular membranes; their operation constitutes the molecular …

In the hydrophobic gating mechanism proposed for some ion channels, ion permeation is
not blocked by the physical dimension of the channel pore but by its dewetted state which …

Noble metals, like platinum (Pt), palladium (Pd) and gold (Au), that possess special
electronic configurations, are popularly used in renewable energy technologies of oxygen …

Buried charged residues play important roles in the modulation of protein stabilities and
conformational dynamics and make crucial contributions to protein functions. Considering …

Owing to the increase of available computational capabilities and the potential for providing
a more accurate description, polarizable molecular dynamics force fields are gaining …

Structural biology is solving an ever-increasing number of snapshots of ion channel
conformational ensembles. Deciphering ion channel mechanisms, however, requires …

Prediction of the hydration levels of protein cavities and active sites is important to both
mechanistic analysis and ligand design. Due to the unique microscopic environment of …

The flux of ions through a channel is most commonly regulated by changes that result in
steric occlusion of its pore. However, ion permeation can also be prevented by formation of a …

An aqueous environment is vital for life as we know it, and water is essential for nearly all
biochemical processes at the molecular level. Proteins utilize water molecules in various …