E. H. S. Anwander

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The interaction of mono- and divalent metal ions with the nucleic acid base pairs A:T and G:C has been studied using ab initio self-consistent field Hartree-Fock computations with minimal basis sets. Energy-optimized structures of the two base pairs with a final base-base distance of L = 10.35 A have been determined and were further used in calculations on(More)
In recent years, numerous computer simulations have been performed on aqueous solutions of monovalent and divalent metal ions. Monte Carlo (MC) and/or Molecular Dynamics (MD) simulations [1] have been reported for example on LiCl [2], NaCl [3], BeCl2 [4], MgCl2 [5], CaCl2 [6] and SrCl2 [7] solutions dealing with the structure of the hydration shell of the(More)
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