Comment on "Free energy simulations of single and double ion occupancy in gramicidin A" [J. Chem. Phys. 126, 105103 (2007)]

被引：16

作者：

Roux, Benoit ^{[1
]}

Andersen, Olaf S. ^{[2
]}

Allen, Toby W. ^{[3
]}

机构：

[1] Univ Chicago, Gordon Ctr Integrat Sci, Dept Biochem & Mol Biol, Chicago, IL 60637 USA

[2] Cornell Univ, Weill Med Coll, Dept Physiol & Biophys, New York, NY 10065 USA

[3] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 128卷 / 22期

关键词：

D O I：

10.1063/1.2931568

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In a recent article published by Bastug and Kuyucak [J. Chem. Phys.126, 105103 (2007)] investigated the microscopic factors affecting double ion occupancy in the gramicidin channel. The analysis relied largely on the one-dimensional potential of mean force of ions along the axis of the channel (the so-called free energy profile of the ion along the channel axis), as well as on the calculation of the equilibrium association constant of the ions in the channel binding sites. It is the purpose of this communication to clarify this issue. © 2008 American Institute of Physics.

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