Abstract
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.
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Original Russian Text Copyright © 2006 by A. V. Dmitriev, P. P. Isaev, and V. A. Tverdislov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 47, No. 2, pp. 249–253, March–April, 2006.
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Dmitriev, A.V., Isaev, P.P. & Tverdislov, V.A. Separation of long-and short-range interactions in calculations of energy distribution of ions in membrane channels. J Struct Chem 47, 241–246 (2006). https://doi.org/10.1007/s10947-006-0292-x
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DOI: https://doi.org/10.1007/s10947-006-0292-x