On the thermodynamics of DNA in the Peyrard-Bishop-Dauxois model

Based on the direct method of molecular dynamics, the temperature dependence of energy, partition function, entropy and free energy, describing the first-order phase transition, is calculated for the classical Peyrard-Bishop-Dauxois model of the DNA molecule. It is shown that without taking into account the quantum freezing of the degrees of freedom at low temperatures, the relationship between these quantities is not determined. An estimation was given for the number of bubbles in homogeneous DNA chains: PolyA/PolyT and PolyG/PolyC.Comment: 4 pages, 2 figure

On the possibility that local mechanical forcing permits directionally-controlled long-range electron transfer along DNA-like molecular wires with no need of an external electric field

It is shown that in DNA-like molecules containing added, excess charges, such as electrons and holes (cation-radicals), it is possible by highly energetic, local, mechanical excitation at definite places of the chain to control the creation of breathers/bubbles and hence to control the long-range transfer of charges moving along the chain in a definite given direction with no external electric field needed