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. 2013 Aug 16;2(5-6):186–193. doi: 10.1002/open.201300019

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© 2013 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.

Re-use of this article is permitted in accordance with the Creative Commons Deed, Attribution 2.5, which does not permit commercial exploitation.

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Structures and relative complexation energies ΔE_double,rel (Equation 1 b) of dinucleoside phosphate duplexes Na₂-d(ApA)₂, Na₂-d(ApT)₂ and Na₂-d(TpA)₂, optimized at COSMO(H₂O)-BLYP-D/TZ2P (left: major-groove side; right: top view).