Ab initio predictions for 3D structure and stability of single- and double-stranded DNAs in ion solutions
Fig 8
The comparisons of stability between predictions (lines) and experiments (symbols) for ssDNAs in monovalent/divalent ion solutions.
(A) The melting temperatures (Tm’s) as functions of [Na+] for the DNA hairpins (GCGC(T)NGCGC) with different loop lengths: 5, 7, and 9 from top to bottom, respectively. Symbols: experimental data [90]. Lines: predictions from the present model. (B) The melting temperatures (Tm’s) as functions of [Mg2+] for the DNA hairpins (CGGATAA(T)NTTATCCG) with different loop lengths: 8, 12, and 16 from top to bottom, respectively. Symbols: experimental data at 2.5mM or 33mM [Mg2+] with 10mM Tris-HCl buffer [96]. Lines: predictions from the present model at extensive [Mg2+]’s without Na+.