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Steered Molecular Dynamics Simulations of Na + Permeation across the Gramicidin A Channel

โœ Scribed by Liu, Zhanwu; Xu, Yan; Tang, Pei


Book ID
125435001
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
469 KB
Volume
110
Category
Article
ISSN
0022-3654

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Gramicidin A (gA) is prototypical peptide antibiotic and a model ion channel former. Configured in the solid-state NMR beta(6.5)-helix channel conformation, gA was subjected to 1-ns molecular dynamics (MD) gas phase simulations using the all-atom charmm22 force field to ascertain the conformational