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Issue 22, 2011
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Stability of the gramicidin-A channel structure in view of nanofiltration: a computational and experimental study

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Abstract

The secondary, ternary and quaternary structures of the biological ion channel Gramicidin-A are investigated by means of UV-visible and fluorescence spectroscopies, and by computational simulations in water/methanol solvent with various molar ratios. Both experiments and molecular dynamics calculations show that the two considered conformations, i.e. the head-to-head and double-stranded β-helix dimers, behave differently with regard to their stability as a function of the methanol content in the water/methanol mixture. To sum-up, calculations show that the double-stranded dimer is stabilized by methanol, even at low content, while the head-to-head dimer conformation breaks into two monomers which remain however coupled whatever the water/methanol mixture. In pure water and low methanol content, the resulting single β-helix structure is maintained due to the stabilization of the channel by water molecules and cations.

Graphical abstract: Stability of the gramicidin-A channel structure in view of nanofiltration: a computational and experimental study

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Publication details

The article was received on 07 Jul 2011, accepted on 08 Sep 2011 and first published on 10 Oct 2011


Article type: Paper
DOI: 10.1039/C1SM06277H
Citation: Soft Matter, 2011,7, 10651-10659

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    Stability of the gramicidin-A channel structure in view of nanofiltration: a computational and experimental study

    D. Bonhenry, S. Kraszewski, F. Picaud, C. Ramseyer, S. Balme, J.-M. Janot and F. Henn, Soft Matter, 2011, 7, 10651
    DOI: 10.1039/C1SM06277H

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