Ab initio predictions for 3D structure and stability of single- and double-stranded DNAs in ion solutions
Fig 6
The stability prediction for an ssDNA with two hairpins and a DNA pseudoknot in the present model.
(A) The schematics of secondary structure for the ssDNA with two hairpins (top) and the DNA pseudoknot (bottom). (B,C) The comparisons between predictions (solid lines) and experiments (dotted lines) for the two ssDNAs in (a). df/dT: the first derivative of predicted f with the temperature. Cp: the heat capacity from experiments [90,92]. Ball-stick: the typical 3D structures predicted at different temperatures shown with PyMol (http://www.pymol.org).