Separation of long- and short-range interactions in calculations of energy distribution of ions in membrane channels

被引：0

作者：

Dmitriev, A. V. ^{[1
]}

Isaev, P. P.

Tverdislov, V. A.

机构：

[1] Lipetsk State Pedag Univ, Lipetsk, Russia

[2] NA Nekrasov State Univ, Kostroma, Russia

[3] Moscow MV Lomonosov State Univ, Moscow, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2006年 / 47卷 / 02期

关键词：

ion channels; energy distribution; quantum chemical calculation; force field; ion selectivity;

D O I：

10.1007/s10947-006-0292-x

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A calculation approach is proposed that is based on the separation of long- and short-range interactions. It allows adequate energy distribution of ions in axially symmetric ion channels to be obtained. The present approach has been tested on a bacterial potassium channel, for which the energy distribution of ions was calculated and its potassium selectivity was explained quantitatively.

引用

页码：241 / 246

页数：6

共 20 条

[1]

Aidley DJ., 1996, ION CHANNELS MOL ACT

[2]

Batsanov S S, 2000, STRUCTURAL CHEM

[3] Three-dimensional Poisson-Nernst-Planck theory studies:: Influence of membrane electrostatics on gramicidin A channel conductance [J].