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.

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Veröffentlicht in:	Journal of the American Chemical Society 2007-05, Vol.129 (19), p.6060-6061
Hauptverfasser:	Savelyev, Alexey, Papoian, Garegin A
Format:	Artikel
Sprache:	eng
Schlagworte:	Buffers Chromatin - chemistry Computational Biology - methods Computer Simulation DNA - chemistry Models, Molecular Static Electricity
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container_title	Journal of the American Chemical Society
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creator	Savelyev, Alexey Papoian, Garegin A
description	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.
doi_str_mv	10.1021/ja070207t
format	Article
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subjects	Buffers Chromatin - chemistry Computational Biology - methods Computer Simulation DNA - chemistry Models, Molecular Static Electricity
title	Inter-DNA Electrostatics from Explicit Solvent Molecular Dynamics Simulations
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