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Comparison of monovalent and divalent ion distributions around a DNA duplex with molecular dynamics simulation and a Poisson-Boltzmann approach
The ion atmosphere created by monovalent (Na(+)) or divalent (Mg(2+)) cations surrounding a B-form DNA duplex were examined using atomistic molecular dynamics (MD) simulations and the nonlinear Poisson-Boltzmann (PB) equation. The ion distributions predicted by the two methods were compared using pl...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2014
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4102171/ https://ncbi.nlm.nih.gov/pubmed/24443090 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/bip.22461 |
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