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. Author manuscript; available in PMC: 2012 Oct 14.
Published in final edited form as: Phys Chem Chem Phys. 2011 Jul 21;13(34):15403–15417. doi: 10.1039/c1cp21086f

Fig. 7.

Fig. 7

Snapshot of a molecular dynamics simulation of single-file water inside the channel of gramicidin A. Water molecules donate hydrogen bonds to the carbonyl groups of the channel. The configuration shows a hydronium ion and a D defect, each stabilized by three hydrogen bonds. (Reprinted from Ref. 11, Copyright (2002), with permission from Elsevier.)