*Dr. Bojja Rajeshwar Rao

SEQUENCE-DEPENDENT THERMODYNAMIC AND QUANTUMCHEMICAL DESCRIPTORS OF DNA DINUCLEOTIDES: AN AM1/MOPAC2016 COMPUTATIONAL STUDY

The thermodynamic stability and quantum chemical properties of all sixteen possible DNA dinucleotides (5′-R1R2-3′; R1, R2 = A, C, G, and T) were investigated using the semi-empirical Austin Model-1 (AM1) Hamiltonian as implemented in MOPAC2016. For each fully optimized dinucleoti...

SEQUENCE-DEPENDENT THERMODYNAMIC AND QUANTUMCHEMICAL DESCRIPTORS OF DNA DINUCLEOTIDES: AN AM1/MOPAC2016 COMPUTATIONAL STUDY

The thermodynamic stability and quantum chemical properties of all sixteen possible DNA dinucleotides (5′-R1R2-3′; R1, R2 = A, C, G, and T) were investigated using the semi-empirical Austin Model-1 (AM1) Hamiltonian as implemented in MOPAC2016. For each fully optimized dinucleoti...