Study on the ability of docking CO on the introgen base groups of DNA using semi-quantum relaxation method

Abstract

The paper deals with upgrading semi-quantum relaxation method to study the ability of docking CO on nitrogen base groups of DNA. Taking into the whole simulated box covering DNA, the priority places where CO molecular docked on could be defined. The structures ofthe clusters created by CO docking on DNA have also been investigated. The energy change of the cluster formation lays between physical and chemical adsorption one which could not be studied successfully by cluster approximation on Gaussian or Gamess software.