Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study.

The dynamics of water molecules inside an Aquaporin channel, embedded within a stochastically fluctuating membrane, was modeled by means of the application of the molecular dynamics (MD) simulation method. We considered the effect of the existence and nonexistence of an external electric field, either constant or oscillating, on the stability of the channel. It was observed that the permeation of water molecules through the channel was increased when the channel was exposed to a constant electric field of strength -0.2 mV nm-1. Moreover, oscillating electric fields of 5 and 10 GHz frequencies, which is the range of field frequency generally present in our daily life, were applied to the channel, showing not significant effects on the stability of the channel and its important parts. In addition, we investigated the influence of the application of electric fields on the water molecule ordinations in the channels, and the results showed that the water molecule orientations were changed in response to the applied field.

Citation

Z Rahimi, A Lohrasebi. Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study. Physical chemistry chemical physics : PCCP. 2020 Nov 18;22(44):25859-25868

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PMID: 33155592

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