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.

Gespeichert in:

Bibliographische Detailangaben
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
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Beschreibung
Zusammenfassung:	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.
ISSN:	0002-7863 1520-5126
DOI:	10.1021/ja070207t