Abstract
Expression for the long-range intermolecular interaction energy obtained by the perturbation theory method in atomic dipole approximation are used for the study of the nature of base interaction in stacked dimers formed of two neighbouring DNA base pairs. Base wave functions are computed by the CNDO-CI method. The inplane interactions are shown to give the dominant contribution into the DNA stabilization energy in vacuum. The estimations performed for the solvent effect on intermolecular interaction energy allowed us to draw conclusions about the decisive role of hydrophobic interactions in a base stacking.
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References
Pullman, A. and Pullman, B., Adv. Quantum Chem. 4 267 (1968).
Rein, R., Claverie, P. and Pollak, M., Int. J. Quantum Chem. 2 129 (1968).
Bertran, J., J. Theor. Biol. 34 353 (1972).
Kudritskaya, Z. G., Zheltovsky, N. V., Pechenaya, V. I., and Danilov, V. I., IV Int. Biophys. Congress, Abstracts, Vol. 2, Moscow, 1972, pp. 220.
Danilov, V. I., Zheltovsky, N. V., and Kudritskaya, Z. G., Preprint ITP-73-109R, Kiev (1973); Studia Biophysica 43 201 (1974).
Stamatiadou, M. N., Swissler, T. J., Rabinowitz, J. R., and Rein, R., Biopolymers II 1217 (1972).
Rein, R., Adv. Quantum Chem. 7 335 (1973).
Danilov, V. I., and Kudritskaya, Z. G., Preprint ITP-74-113R, Kiev, 1974; J. Theor. Biol., in press.
Zheltovsky, N. V., and Danilov, V. I., Preprint ITP-73-70R, Kiev, 1973; Biofizika 19 784 (1974).
Wells, R. D., Larson, J. E., Grant, R. C., Shortle, B. E., and Cantor, C. R., J. Mol.Biol. 54, 465 (1970).
P.Ts'o, P. O., Ann. N.Y. Acad. Sci. 153 785 (1969).
Halicioglu, T., and Sinanoglu, O., Ann. N.Y. Acad. Sci. 158 308 (1969).
Kirkwood, J. G. and Westheimer, F. H., J. Chem. Phys. 6 506 (1938).
Sinanoglu, O., Adv. Chem. Phys. 12 283 (1967).
Sinanoglu, O., in B.Pullman (ed.), Academic Press, New York, 1968, Molecular Associations in Biology, p. 427.
Onsager, L., J. Am. Chem. Soc. 58 1486 (1936).
Lowe, M. J. and Schellman, J. A., J. Mol. Biol. 65 91 (1972).
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Danilov, V.I. On the nature of stability of the nucleotide base associates in water solution. Molecular Biology Reports 2, 263–266 (1975). https://doi.org/10.1007/BF00356997
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DOI: https://doi.org/10.1007/BF00356997