Inter-DNA Electrostatics from Explicit Solvent Molecular Dynamics Simulations
Journal of the American Chemical Society2007Vol. 129(19), pp. 6060–6061
Citations Over TimeTop 10% of 2007 papers
Abstract
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.
Related Papers
- → Structure and Dynamics of the Solvation of Bovine Pancreatic Trypsin Inhibitor in Explicit Water: A Comparative Study of the Effects of Solvent and Protein Polarizability(2005)54 cited
- → Interdependent Roles of Electrostatics and Surface Functionalization on the Adhesion Strengths of Nanodiamonds to Gold in Aqueous Environments Revealed by Molecular Dynamics Simulations(2018)10 cited
- → Structure and Dynamics of Hydrated Ion Pairs in a Hydrophobic Environment(2010)8 cited
- → Molecular dynamics studies of the behaviour of water molecules and small ions in concentrated solutions of polymeric B-DNA(1991)39 cited
- Solvent effects on the dynamics of polyelectrolyte chains near a charged wall: Molecular dynamics simulations with explicit solvent(2005)