Molecular dynamics simulations of a charged dendrimer in multivalent salt solution.


The multivalent salt dependent behaviors of a charged dendrimer in solution are investigated by molecular dynamics simulations with explicit free ions. We find that the charged dendrimers show a dense-core conformation together with the back-folding of terminal monomers to the interior under all the conditions studied. We also observe an interesting ion… (More)
DOI: 10.1021/jp906449g


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