Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations

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Authors: Konstantinos Gkionis, Holger Kruse, James A. Platts, Arnošt Mládek, Jaroslav Koča, Jiří Šponer

Journal title: Journal of Chemical Theory and Computation

Journal number: 15499618

Journal publisher: American Chemical Society

Published year: 2014

Published pages: 1326-1340

DOI identifier: 10.1021/ct4009969

ISSN: 1549-9618