Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells
Subject Areas : Journal of Physical & Theoretical ChemistryF. Kaveh 1 * , K. zare 2 * , S. Salemi 3 * , A. R. Illchani 4 * , N. Khodayari 5 *
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Keywords: Aquaporin-4, Brain edema, Molecular Dynamics, CHARMM,
Abstract :
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.