Fig. 4: Ion distribution around the DNA from MD simulations.
From: Counterintuitive DNA destabilization by monovalent salt at high concentrations due to overcharging
Source data are provided as a Source Data file. a Total charge, \({q}_{{{{\rm{cyl}}}}}\), within a cylinder around DNA. The smallest cylinder has a radius of 1 nm, corresponding to DNA radius. The middle cylinder has a radius of 1.5 nm, corresponding to the position of the maximum overcharging. The largest cylinder has a radius of 2 nm, where the ion concentrations approach the bulk values. b \({q}_{{{{\rm{cyl}}}}}\) as a function of the cylindrical radius. c Maximum of \({q}_{{{{\rm{cyl}}}}}\), \({q}_{{{{\rm{cyl}}}}}^{\max }\), as a function of NaCl concentration. d Electric potential, \({\Phi }_{{{{\rm{E}}}}}\), as a function of radial distance. e Maximum of \({\Phi }_{{{{\rm{E}}}}}\), \({\Phi }_{{{{\rm{E}}}}}^{\max }\), as a function of NaCl concentration. f Radial distribution of Na+ and Cl− at 4.5 M NaCl.
