Modeling membranes under a transmembrane potential
Modeling membranes under a transmembrane potential
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DOI：
10.1021/jp710846y
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发表时间：
2008-05-08
影响因子：
3.3
通讯作者：
Tarek, Mounir
中科院分区：
文献类型：
--
作者：
Delemotte, Lucie;Dehez, Francois;Tarek, Mounir
迄今为止，通过合成和生物跨膜通道的离子传输的精确建模一直是一个具有挑战性的问题。我们在这里介绍一种新方法，可以让人们在现实的生物条件下研究这种运输。我们展示了由肽纳米管形成的离子通道的分子动力学模拟结果，该离子通道嵌入脂质双层中，并受到膜两侧离子不对称分布产生的跨膜电位的影响。我们证明该方法可以有效地产生离子电流，并允许我们估计通道的固有电导。
Accurate modeling of ion transport through synthetic and biological transmembrane channels has been so far a challenging problem. We introduce here a new method that allows one to study such transport under realistic biological conditions. We present results from molecular dynamics simulations of an ion channel formed by a peptide nanotube, embedded in a lipid bilayer, and subject to transmembrane potentials generated by asymmetric distributions of ions on both sides of the membrane. We show that the method is efficient for generating ionic currents and allows us to estimate the intrinsic conductance of the channel.