Ethidium, Daunomycin, Ellipticine, and 4,6-Diaminide-2

Intercalators. 1. Nature of Stacking Interactions be- tween Intercalators (Ethidium, Daunomycin, Ellipticine, and 4′,6′-Diaminide-2-phenylindole) ...
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Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4′,6′-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study [J. Am. Chem. ˇ eha, Martin Soc. 2002, 124, 3366-3367]. David R Kabela´ cˇ , Filip Ryja´ cˇ ek, Jirˇ´ı S ˇ poner, Judit E. S ˇ poner, Marcus Elstner, Sa´ ndor Suhai, and Pavel Hobza* Page 3367. The Supporting Information Available paragraph was not included in the published version of this paper. See below for the description of the Supporting Information for this paper. Supporting Information Available: Tables S1-S8 summarizing the parameters used for the optimized structures and atom numbering of ethidium, ellipticine, daunomycin, and DAPI. This material is available free of charge via the Internet at http://pubs.acs.org. JA033983J 10.1021/ja033983j Published on Web 04/08/2003