Hole mobilities of periodic models of DNA double helices in the nucleosomes at different temperatures

Using the Hartree–Fock crystal orbital method band structures of poly( G ∼ – C ∼ ) and poly( A ∼ – T ∼ ) were calculated ( G ˜ , etc. means a nucleotide) including water molecules and Na+ ions. Due to the close packing of DNA in the ribosomes the motion of the double helix and the water molecules around it are strongly restricted, therefore the band picture can be used. The mobilities were calculated from the highest filled bands. The hole mobilities increase with decreasing temperatures. They are of the same order of magnitude as those of poly( A ∼ ) and poly( T ∼ ). For poly( G ∼ ) the result is ∼5 times larger than in the poly( G ∼ – C ∼ ) case.