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On the interaction of bare and hydrated aluminum ion with nucleic acid bases (U, T, C, A, G) and monophosphate nucleotides (UMP, dTMP, dCMP, dAMP, dGMP).
The B3LYP/6-311+G(2df,2p) density functional approach was used to study the interaction that aluminum trication, in the bare and hydrated forms, establishes with the nucleic acid bases and theExpand
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On the interaction of rubidium and cesium mono‐, strontium and barium bi‐cations with DNA and RNA bases. A theoretical study
We performed a density functional investigation of the interactions of the two alkaline metal ions Rb(I) and Cs(I) and two alkaline earth metal ions Ba(II) and Sr(II), with DNA and RNA nucleobases.Expand
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A theoretical study on tautomerization processes of dehydrated and monohydrated cytosine
Some dehydrated and monohydrated tautomeric forms of cytosine enclosed in an energy range of about 20 kcal/mol were investigated at B3LYP/6-311+G(2df,2p) density functional level of theory with theExpand
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Gas phase interaction of zinc ion with purine and pyrimidine DNA and RNA bases
The interaction of uracil, thymine, cytosine, adenine, and guanine with zinc ion was studied at the density functional B3LYP/6-311+G(2df,2p) level. Different binding sites allowing both mono-metalExpand
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