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Molecular dynamics (MD) simulation of polySia chains and histone. (A) The histone part of this complex has been used as receptor in a docking study and an MD simulation after removing the DNA fragments (Histone–DNA complex, Protein Data Bank entry 3wa9). (B) Four chains of 20 sialic acids each have been placed close to the histone and put into a water box (water not shown). After 6 ns, the polySia chains have bound to the histone and moved to the areas that bind to DNA.
