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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Gkionis, K; Kruse, H; Platts, JA; Mladek, A; Koca, J; Sponer, J, 2014: Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10(3), p. 1326 - 1340, doi: 10.1021/ct4009969

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