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. 2019 Nov 27;11(12):632. doi: 10.3390/pharmaceutics11120632

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© 2019 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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(a) Total interaction energy (black), and electrostatic (red) and van der Waals (blue) contributions for the DNA fragments and 12LYCl/9DOPEDIM lipid bilayer versus the average of the d₁ and d₂ distances between the center of masses of DNA and 12LYCl/9DOPEDIM (see Figure S14). (b) Idem for the 4LYCl/9DOPEDIM containing lipoplex. The insets are views (from the x axis) of the MD1, MD2, and MD3 MBE lipoplex structures obtained by MM calculations (DNA fragments in magenta).