Using genetic algorithm and atomic cluster approximation to determine the docking of co on DNA molecular.

Abstract

The paper deals with combining genetic algorithm and quantum chemistry to determine the docking of small molecules on DNA. The atomic clusters including CO and different atoms of Ademin group of DNA molecule have been chosen to calculate. The results shown that there are five factors affected the solution evolution: the exactness of software using to calulate quantum energy of cluster, the search space, the selection of DNA atoms into  cluster, selecting fitness function and mutate probability. The restriction of search space and enlargement of cluster size and selecting appropriate parameters will give the resonable optimal configuration of CO docking on DNA.