TY - JOUR
T1 - Combined hopping-superexchange model of a hole transfer in DNA
AU - Lakhno, V. D.
AU - Sultanov, V. B.
AU - Pettitt, B. Montgomery
N1 - Funding Information:
The work is carried out in the framework of a joint project of the Institute of Mathematical Problems of Biology and the Institute for Molecular Design, Houston entitled ‘Computer modeling of nanobiochips’ with the support from the RFBR Grants Nos. 03–04-49225 and 01-07–90317. B.M.P. thanks the Robert A. Welch foundation and the NIH for partial support.
PY - 2004/12/11
Y1 - 2004/12/11
N2 - Relative hole transfer rates in DNA have been investigated in a number of nucleotide sequences experimentally. Calculation of the transfer rates in DNA is performed relying on the assumption that the transfer is realized as hopping of a hole on guanine sites, each hop being calculated on the basis of superexchange theory. It is shown that the medium reorganization energy and free energy changes play an important role in determining the transfer rate and the type of a nucleotide sequence. The results of the calculations are compared with experimental data covering a range of available sequences.
AB - Relative hole transfer rates in DNA have been investigated in a number of nucleotide sequences experimentally. Calculation of the transfer rates in DNA is performed relying on the assumption that the transfer is realized as hopping of a hole on guanine sites, each hop being calculated on the basis of superexchange theory. It is shown that the medium reorganization energy and free energy changes play an important role in determining the transfer rate and the type of a nucleotide sequence. The results of the calculations are compared with experimental data covering a range of available sequences.
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U2 - 10.1016/j.cplett.2004.10.077
DO - 10.1016/j.cplett.2004.10.077
M3 - Article
AN - SCOPUS:9644310288
SN - 0009-2614
VL - 400
SP - 47
EP - 53
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -