We report a theoretical study highlighting the fundamental effects of backbone disorder
which simulates the environmental complications on charge transport properties of …

We report a theoretical study highlighting the thermoelectric properties of biological and
synthetic DNA molecules. Based on an effective tight-binding model of duplex DNA and by …

Using the ab initio Hartree-Fock crystal orbital method in its linear combination of atomic
orbital form, the energy band structure of the four homo-DNA-base stacks and those of poly …

The presence of synchronized, collective twist motions of the Watson-Crick base pairs in
DNA duplexes (helicoidal standing waves) can efficiently enhance the π-π orbital …

The solid state physical approach is widely used for the characterization of electronic
properties of DNA. In the simplest case the helical symmetry is explicitly utilized with a …

Using the Hartree–Fock crystal orbital method band structures of poly (G∼–C∼) and poly
(A∼–T∼) were calculated (G˜, etc. means a nucleotide) including water molecules and Na+ …

Using the ab initio Hartree–Fock crystal orbital method in its linear combination of atomic
orbitals form we have calculated the band structures of poly (G̃–C̃) and poly (ÖT̃). Here …

The influence of monovalent and divalent metal ions on the stability of the DNA-protein
interaction in the nucleosome core particle (NCP) were studied using first principle theories …

We have calculated the charge transfer (CT) between the PO4-group of DNA and the lysine
(Lys) and arginine (Arg) positive side chains of histones in presence of water and K+ ions …

This paper presents a model to describe alternating current (AC) conductivity of DNA
sequences, in which DNA is considered as a one-dimensional (1D) disordered system, and …