… to complexes of free nucleic bases, may be disfavored in DNA since they might require …
realistic quantum chemical models that include DNA backbone deformations in photolyase−DNA …

… base is greater than that of Ca2?-base. The ABEEMrp/MM potential gives reasonable geometries
and binding energies compared with the present quantum chemical … tautomer of bases, …

… and inhibiting DNA … purine bases, as the final targets of anticancer drugs, is published.
Hence, in the present study, the interactions between the FU and the DNA and RNA purine bases, …

… Our purpose is to find and understand the source of this apparent disagreement using
modern density functional theory (DFT) and, in this way, to arrive at a suitable quantum chemical …

… correcting damage to genomic DNA,5 involves a … DNA by a DNA glycosylase that is able
to recognize a modified (damaged) base, bind at the site of the damage, and remove the base, …

… compounds and calf thymus DNA (CT-DNA) showed that the compounds interacts with
CT-DNA via intercalative binding. A DNA cleavage study showed that the Cu(II) complex cleaved …

… not about technical matters such as basis sets or levels of electron correlation. We talked
about densities and probabilities in chemical systems, what makes a chemical bond, what is an …

… Studying the formation of various DNA base pairs in vacuo by ab initio … base pairs. The
critical values determining the final ΔG are thus the stabilization energy of the ethidium⋅⋅⋅DNA …

… base pairing does not occur in DNA and is essential for functional RNAs. We report reference
quantum chemical calculations of base … RNA base pairs utilizing the ribose moiety for base …

… Quantum-chemical methods (ab initio with inclusion of electron … of base–base and
deoxyribose–base-stacking interactions in B-DNA and Z-DNA, for which older quantum-chemical …