Ethylene glycol solution-induced DNA conformational transitions Project supported by the National Natural Science Foundation of China (Grant Nos. 11635003, 11025524, and 11161130520), the National Basic Research Program of China (Grant No. 2010CB832903), and the European Commissions 7th Framework Programme (FP7-PEOPLE-2010-IRSES) (Grant No. 269131). |
(color online) (a) RMSD of the DNA trajectories with respect to the initial structure (black line), x-ray (red line), and NMR (blue line). (b) Evolution of the total number of Watson–Crick hydrogen bonds with time. Red solid is the ideal hydrogen bond number between the 12 base pairs while the red dashed line is the ideal hydrogen bond number without the terminal base pair. (c) Evolution of the total number of hydrogen bonds between water and DNA with time. (d) Evolution of the total number of hydrogen bonds between ethylene glycol and DNA with time. (e) Evolution of the total number of hydrogen bonds between ion and DNA with time. (f) Evolution of the total number of hydrogen bonds between solvents (water+ethylene glycol+ions) and DNA with time. The running averages over 1 ns are shown in blue line. The weight percent of ethylene glycol solution is 40%. |