Water transport in human aquaporin-4: Molecular dynamics (MD) simulations

Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells

This paper investigates the mechanism of water transportation through aquaporin-4(AQP4) of ratbrain cells by means of molecular dynamics simulation with CHARMM software. The AQP4 wasembedded into a bilayer made of Dimystroilphosphatylcholine (DMPC). The results illustrate thatwater molecules move through AQP4's channel with change of orientation of oxygen of eachwater molecule.

Water transport in aquaporins: molecular dynamics simulations.

Aquaporins and aquaglyceroporins are membrane channel proteins that selectively transport water and small molecules such as glycerol across biological membranes. Molecular dynamics simulations have made substantial contributions toward understanding the permeation mechanisms of aquaporins in atomic detail. Osmotic pressure is the driving force of the transport by aquaporins. The osmotic water p...

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations.

Aquaporin-4 (AQP4) is the predominant water channel in different organs and tissues. An alteration of its physiological functioning is responsible for several disorders of water regulation and, thus, is considered an attractive target with a promising therapeutic and diagnostic potential. Molecular dynamics (MD) simulations performed on the AQP4 tetramer embedded in a bilayer of lipid molecules...

molecular dynamics simulation of water transportation through aquaporin-4 in rat brain cells

this paper investigates the mechanism of water transportation through aquaporin-4(aqp4) of ratbrain cells by means of molecular dynamics simulation with charmm software. the aqp4 wasembedded into a bilayer made of dimystroilphosphatylcholine (dmpc). the results illustrate thatwater molecules move through aqp4's channel with change of orientation of oxygen of eachwater molecule.

Modeling Nanocomposites for Molecular Dynamics (md) Simulations