Quantum molecular biological investigation of the onset of cancer

Abstract

Accurate stereostructure of DNA in the nucleosomes has been established recently with the aid of more precise crystal structure investigations. Using this structure, Hartree–Fock crystal orbital calculations have been performed on the DNA parts of the nucleosomes. The obtained band structure was used to calculate the hole mobilities of the corresponding DNA parts. These results were used further to investigate the effect of Cl− ions which enter in the cell nucleus through channels in the nuclear membrane. Our results show how Cl− ions can weaken the DNA–protein interactions which can lead to the onset of cancer. Other molecules can also bind to DNA or photon can excite a nucleotide base in the stack. In both cases, a soliton can appear which causes long‐range effect (disturbance of protein synthesis, double strand breaking). © 2014 Wiley Periodicals, Inc.