Communication
DNA Attraction in Monovalent and Divalent Electrolytes
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Abstract

The dependence of the effective force on the distance between two DNA molecules was directly computed from a set of extensive all-atom molecular dynamics simulations. The simulations revealed that in a monovalent electrolyte the effective force is repulsive at short and long distances but can be attractive in the intermediate range. This attractive force is, however, too weak (
5 pN per turn of a DNA helix) to induce DNA condensation in the presence of thermal fluctuations. In divalent electrolytes, DNA molecules were observed to form a bound state, where Mg2+ ions bridged minor groves of DNA. The effective force in divalent electrolytes was predominantly attractive, reaching a maximum of 42 pN per one turn of a DNA helix.
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This article has been cited by 3 ACS Journal articles (3 most recent appear below).

Improved Parametrization of Li+, Na+, K+, and Mg2+ Ions for All-Atom Molecular Dynamics Simulations of Nucleic Acid Systems
Jejoong Yoo and Aleksei AksimentievThe Journal of Physical Chemistry Letters2012 3 (1), 45-50Improved Parametrization of Li+, Na+, K+, and Mg2+ Ions for All-Atom Molecular Dynamics Simulations of Nucleic Acid Systems
Jejoong Yoo and Aleksei AksimentievThe Journal of Physical Chemistry Letters2012 3 (1), 45-50Atomic-scale modeling of compacted nucleic acids has the ability to reveal the inner workings of spectacular biomolecular machines, yet the outcome of such modeling efforts sensitively depends on the accuracy of the underlying computational models. Our ...

Sequence-Specific Mg2+–DNA Interactions: A Molecular Dynamics Simulation Study
Weifeng Li, Lars Nordenskiöld, and Yuguang MuThe Journal of Physical Chemistry B2011 115 (49), 14713-14720Sequence-Specific Mg2+–DNA Interactions: A Molecular Dynamics Simulation Study
Weifeng Li, Lars Nordenskiöld, and Yuguang MuThe Journal of Physical Chemistry B2011 115 (49), 14713-14720The effects of Mg2+ ions, in comparison with Na+ ions, on DNA structure and conformational dynamics were studied by molecular dynamics simulations. Mg2+ ions, with a stable hydration shell consisting of six water molecules, interact with DNA mainly ...

Salt Species-Dependent Electrostatic Effects on ssDNA Elasticity
D. B. McIntosh and O. A. SalehMacromolecules2011 44 (7), 2328-2333Salt Species-Dependent Electrostatic Effects on ssDNA Elasticity
D. B. McIntosh and O. A. SalehMacromolecules2011 44 (7), 2328-2333The interactions of charged, flexible polymers with counterions of various valencies is a fundamental unsolved problem of polyelectrolyte physics, with specific applications to structure formation by nucleic acids, including RNA folding and DNA ...
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History
- Published In Issue November 26, 2008
- Article ASAPOctober 31, 2008
- Received: June 23, 2008
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