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

Mladek, A; Sponer, JE; Jurecka, P; Banas, P; Otyepka, M; Svozil, D; Sponer, J, 2010: 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 6(12), p. 3817 - 3835, doi: 10.1021/ct1004593