… are studied by a variety of different quantum chemical methods. In particular, we employ …
pyrimidine and purine nucleic acid bases with respect to the three-dimensional stacking in DNA. …

… were replaced by DNA purine bases so that finally cis-diammineplatinum with two bases (Pt-…
This study reveals properties and structures of Pt-bridged complexes of DNA purine bases …

… The influence of N7 platination on the strength of the N9-C1′ glycosyl bond of purine bases
… with tethered DNA purine bases were investigated in this study. For the calculations, only …

… Ab initio quantum-chemical calculations with inclusion of … of molecular interactions of DNA
and RNA bases. Some of the most … In the case of purine···pyrimidine stacked base pairs this …

… that obtains for B-form DNA by no means implies that the … out a calculation of embedding
energies for these three base … we consider the effects of purine/pyrimidine interchanges in …

… In addition, the values of red shifts, Δν(AH), reflect the strength of HB interactions between
the FU and purine bases. So, these quantities for all of the complexes were calculated and …

… calculations and evaluate the base-stacking energies in 10 canonical B-DNA base-pair and
Z-DNA … with respect to the pyrimidine ring of the purine base. These two parameters are …

… of the enzymes of de novo purine synthesis pathway. Finally, thioinosinic … DNA base pairs.
The specificity and energetic were elaborately discussed using Quantum chemical methods …

… However, theoretical methods with which to calculate … is to calculate accurate CEBEs of
pyrimidine and purine bases in their … and purine bases are the fundamental building units of DNA …

… all of the species in our calculations, we test our calculations for the solvation free energies
… characteristics of the DNA model base adducts are studied from quantum-chemical insight, …