Bojja Rajeshwar Rao*

COMPUTATIONAL STUDY OF THERMODYNAMIC STABILITY AND FRONTIER-ORBITAL-BASED REACTIVITY DESCRIPTORS OF GUANINE-INITIATED DNA TRINUCLEOTIDES: AN AM1/MOPAC2016 INVESTIGATION

Guanine (G) is the most readily oxidised of the four canonical DNA bases and represents a major site for hole trapping following one-electron oxidation of DNA. Sequence-dependent electronic interactions can therefore influence the localisation and reactivity of oxidative charge i...

COMPUTATIONAL STUDY OF THERMODYNAMIC STABILITY AND FRONTIER-ORBITAL-BASED REACTIVITY DESCRIPTORS OF GUANINE-INITIATED DNA TRINUCLEOTIDES: AN AM1/MOPAC2016 INVESTIGATION

Guanine (G) is the most readily oxidised of the four canonical DNA bases and represents a major site for hole trapping following one-electron oxidation of DNA. Sequence-dependent electronic interactions can therefore influence the localisation and reactivity of oxidative charge i...