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Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Megumi Nishimura, Takeshi Miyakawa, Kazutomo Kawaguchi, Masako Takasu, Taku Mizukami and Hidemi Nagao Molecular dynamics study of gramicidin a in lipid bilayer: Structure and lateral pressure profile International Journal of Quantum Chemistry 112

Version of Record online: 22 JUN 2012 | DOI: 10.1002/qua.24248

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Gramicidin is a peptide that forms ion channels specific for monovalent cations in biological membranes. The effect of gramicidin on the structure and lateral pressure profile of lipid bilayers is studied by molecular dynamics simulations. Due to the hydrophobic mismatch between gramicidin and the lipid bilayer, the membrane surface is largely distorted. The lateral pressure in the hydrophobic region of the membrane is found to decrease the pore size around the ion channel entrance.

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