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. 2015 Aug 4;16(8):17999–18017. doi: 10.3390/ijms160817999

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© 2015 by the authors; licensee MDPI, Basel, Switzerland.

This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/4.0/).

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Complexation snaps of the ILTG/G₂-β-CD complex in the gas phase by ONIOM (B3LYP/6-31+G(d):PM3) calculations. The left two snaps denote the conformations obtained from Orientation A, while the right two snaps denote the conformations obtained from Orientation B.