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The interaction of DNA with the polyamine spermine4+ (Spm4+), sodium ions, and water molecules has been studied using molecular dynamics computer simulations in a system modeling a DNA crystal. The simulation model consisted of three B-DNA decamers in a periodic hexagonal cell, containing 1200 water molecules, 8 Spm4+, 32 Na+, and 4 Cl− ions. The present paper gives a more detailed account of a recently...
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