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

محورهای موضوعی : Journal of Physical & Theoretical Chemistry

F. Kaveh ¹ , K. zare ² , S. Salemi ³ , A. R. Illchani ⁴ , N. Khodayari ⁵

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تاریخ دریافت : 1394/02/19 تاریخ پذیرش : 1394/02/19 تاریخ انتشار : 1387/11/13

کلید واژه: Aquaporin-4, Brain edema, Molecular Dynamics, CHARMM,

چکیده مقاله :

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.