화학공학소재연구정보센터
Chemical Physics Letters, Vol.565, 128-131, 2013
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) over tilde-(C) over tilde) and poly((A) over tilde-(T) over tilde) were calculated ((G) over tilde, 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) over tilde) and poly((T) over tilde). For poly((G) over tilde) the result is similar to 5 times larger than in the poly((G) over tilde-(C) over tilde) case. (C) 2013 Elsevier B. V. All rights reserved.