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A COARSE-GRAINED MODEL OF DNA WITH EXPLICIT SOLVATION BY WATER AND IONS

Solvation by water and ions has been shown to be vitally important for biological molecules, yet fully atomistic simulations of large biomolecules remain a challenge due to their high computational cost. The effect of solvation is the most pronounced in polyelectrolytes, of which DNA is a paradigmat...

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Autori principali: DeMille, Robert C., Cheatham, Thomas E., Molinero, Valeria
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3019136/
https://ncbi.nlm.nih.gov/pubmed/21155552
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp107028n
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