1/f fluctuation and water permeation of aquaporins

研究成果: Article査読

抄録

Aquaporins (AQPs) are transmembrane water channels that exclusively transport water molecules across the plasma membranes. Using all-atom molecular dynamics simulations for a system of AQP1/water molecules/lipid bilayer, we investigated the effects of conformational fluctuations of amino acids on water pemeation within AQP1. We found that the amino acids exhibit 1/f fluctuations, indicating possession of long-term memory. In this case, water molecules crossing the ar/R region obey a non-Poisson process. Moreover, we performed restrained MD simulations of AQP1. In restrained MD simulations, the fluctuations of amino acids show white Gaussian fluctuation, and water molecules crossing the ar/R region obey a Poisson process. These results suggest that 1/f fluctuations of amino acids generate the non-Poisson water permeation within AQP1.

本文言語English
ページ(範囲)175-176
ページ数2
ジャーナルKobunshi
65
4
出版ステータスPublished - 2016 4 1

ASJC Scopus subject areas

  • 化学工学(全般)

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