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Literature DB >> 2579687

Interaction of K+ ion with the solvated gramicidin A transmembrane channel.

K S Kim, D P Vercauteren, M Welti, S Chin, E Clementi.

Abstract

Using Urry's gramicidin A (GA) atomic coordinates and ab into calculations, the interaction energies of a K+ ion with GA are examined. From these energies the values of the fitting parameters are obtained for 6-12-1 atom-atom pair potentials. The potential of the GA channel as experienced by the ion is analyzed in detail. An energy profile of the K+ ion in the GA channel is obtained by analyzing iso-energy maps. Using Monte Carlo simulations, the energy profiles of the K+ ion with the solvated GA channel are analyzed and the hydration structures in the presence of the K+ ion are studied.

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Year: 1985 PMID： 2579687 PMCID： PMC1435224 DOI： 10.1016/S0006-3495(85)83923-0

Source DB: PubMed Journal: Biophys J ISSN： 0006-3495 Impact factor: 4.033

6 in total

1. Modeling the gramicidin channel: interpretation of experimental data using rate theory.

Authors: G Eisenman; J P Sandblom
Journal: Biophys J Date: 1984-01 Impact factor: 4.033

2. Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acids.

Authors: E Clementi; F Cavallone; R Scordamaglia
Journal: J Am Chem Soc Date: 1977-08-17 Impact factor: 15.419

3. Ion transfer across lipid membranes in the presence of gramicidin A. I. Studies of the unit conductance channel.

Authors: S B Hladky; D A Haydon
Journal: Biochim Biophys Acta Date: 1972-08-09

4. Fluctuations of barrier structure in ionic channels.

Authors: P Läuger; W Stephan; E Frehland
Journal: Biochim Biophys Acta Date: 1980-10-16

5. Comparison of Nernst-Planck and reaction rate models for multiply occupied channels.

Authors: D G Levitt
Journal: Biophys J Date: 1982-03 Impact factor: 4.033

6. Water structure in the Gramicidin A transmembrane channel.

Authors: S L Fornili; D P Vercauteren; E Clementi
Journal: J Biomol Struct Dyn Date: 1984-03

6 in total

13 in total

4. Jump rates for anisotropic particles. Model calculations for the transport of water molecules through membrane channels.

Authors: H Schröder
Journal: Eur Biophys J Date: 1987 Impact factor: 1.733

Interaction of K+ ion with the solvated gramicidin A transmembrane channel.

1. Modeling the gramicidin channel: interpretation of experimental data using rate theory.

2. Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acids.

3. Ion transfer across lipid membranes in the presence of gramicidin A. I. Studies of the unit conductance channel.

4. Fluctuations of barrier structure in ionic channels.

5. Comparison of Nernst-Planck and reaction rate models for multiply occupied channels.

6. Water structure in the Gramicidin A transmembrane channel.

1. Noncontact dipole effects on channel permeation. VI. 5F- and 6F-Trp gramicidin channel currents.

2. Open channel noise. V. Fluctuating barriers to ion entry in gramicidin A channels.

3. Microscopic model for selective permeation in ion channels.

4. Jump rates for anisotropic particles. Model calculations for the transport of water molecules through membrane channels.

5. Why is gramicidin valence selective? A theoretical study.

Review 6. Metal Ion Modeling Using Classical Mechanics.

7. Sodium in gramicidin: an example of a permion.

8. Molecular dynamics study of free energy profiles for organic cations in gramicidin A channels.

9. The normal modes of the gramicidin-A dimer channel.

10. Simulation of voltage-driven hydrated cation transport through narrow transmembrane channels.