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. 2015 Dec 2;20(12):21405–21414. doi: 10.3390/molecules201219774

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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 by Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).

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Binding pose at the lowest energy between compounds 1–3 and free enzyme (A–C); binding pose at the lowest energy between compounds for 1–3 and enzyme-substrate complex (D–F).

Binding pose at the lowest energy between compounds 1–3 and free enzyme (A–C); binding pose at the lowest energy between compounds for 1–3 and enzyme-substrate complex (D–F).