Investigation of DNA denaturation in Peyrard-Bishop-Dauxois model by molecular dynamics method

The phase transition of (PolyA/PolyT)100 duplex into the denaturated state is studied in the Peyrard–Bishop–Dauxois model by the method of direct molecular-dynamical modeling. The temperature dependencies of the total energy and heat capacity of the duplex are calculated. The approach applied can be used to calculate the statistical properties of the duplexes of any length and nucleotide composition.