화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.129, No.19, 6060-6060, 2007
Inter-DNA electrostatics from explicit solvent molecular dynamics simulations
Electrostatic repulsion between two DNA molecules, computed from explicit water-free energy simulations, is screened stronger by Na+ counterions than K+ counterions. An effective electrostatic potential was constructed for a coarse-grained model, where each base pair is represented by a bead.