Fig. 4: Mechanisms for DNA diameter and twist changes.

a, b Illustration of two mechanisms: electrostatic screening and entropic pulling. Surface electrostatic potentials were calculated by the APBS solver34. c DNA twist versus diameter at different ion concentrations. d The two-dimensional potential of mean force from the simulation results at 0.08 mM CoHex3+. e Connecting Na+ or K+ ions with DNA phosphate groups by artificial springs, and the corresponding changes in DNA diameter and twist. f Simulation results when turning off the artificial springs.