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. 2020 Jan 15;12(1):216. doi: 10.3390/cancers12010216

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© 2020 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 (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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The molecular structure and results of the fragment molecular orbital method (FMO) applied to the aptamer-arabinogalactan complex. (a) Fragments of arabinogalactan and aptamer AS-14 are shown in different colours. (b) Total pair interactions between arabinogalactan (Ar9–Ar13) and aptamer fragments (A1, T1, C1, G1, A2, T2, C2, G2,). All values are in kcal/mol. (c) Main interactions between arabinogalactan (Ar9–Ar13) and aptamer fragments (T1, A1, C1). The total values are shown below each bar. All values are in kcal/mol. Each pair interaction is divided into electrostatic (ES), quantum-mechanical (QM), and van-der-Waals (vdW) components.