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, Petr, Banáš, Pavel, Otyepka, Michal, Svozil, Daniel, Šponer, JiříVolume:
6
Langue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct1004593
Date:
December, 2010
Fichier:
PDF, 2.97 MB
english, 2010