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Spermine–nucleic acid interactions: A theoretical study

The interaction of spermine with nucleic acids is simulated theoretically using refined semi‐empirical energy formulae and an advanced minimization procedure. Various nucleic acids are considered: model homopolymeric DNA's, a dodecamer (CGCGAATTCGCG) of type B‐DNA, as well as a transfer RNA, tRNAPhe. The dominant role of electrostatic potential in determining the preferential binding sites of spermine is demonstrated in each of these cases and the role of counterions, nucleic acid structure, and base‐pair sequence is analyzed.