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Updated: Jul 15, 2026

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
Published on: July 4, 2016
Theoretical study of the interaction between sodium ion and a cyclopeptidic tubular structure
Francesco Ferrante1, Gianfranco La Manna
1Dipartimento di Chimica Fisica F. Accascina, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.
Abstract:
DFT calculations have been carried out to describe the pathway of a sodium ion along the stacking direction of a tubular structure set up by five cyclopeptidic units, which can be considered a suitable model of a hollow tubular structure of indefinite length. A lattice of points inside the tubular structure is defined and the DFT interaction energy values with a sodium ion are obtained. The data allow predicting a zigzag path of the ion inside the hosting structure.
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