Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics

MLÁDEK, Arnošt, ŠPONER, Judit E., JUREČKA, P., BANÁŠ, P., OTYEPKA, M., SVOZIL, D., ŠPONER, Jiří. Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics. Journal of Chemical Theory and Computation. 2010, 6(12), 3817-3835. ISSN 1549-9618. E-ISSN 1549-9626. Dostupné z: doi: 10.1021/ct1004593