MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases

Chemical Physics Letters

Volumn 412, Issue 4-6, 2005, Pages 285-293

  Danilov, Victor I ^a   Anisimov, Victor M ^b   Kurita, Noriyuki ^c   Hovorun, Dmytro ^a  

^a INSTITUTE OF MOLECULAR BIOLOGY AND GENETICS   (Ukraine)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^c TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; ELECTRONIC PROPERTIES; GENETIC ENGINEERING; HYDROGEN BONDS; MOLECULAR DYNAMICS; MUTAGENESIS; PROBABILITY DENSITY FUNCTION;

DNA BASE PAIRS; ENERGY DECOMPOSITION ANALYSIS; GUANINE; TAUTOMERISM;

DNA;

EID: 23944469844     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.123     Document Type: Article

References (31)

1. J.D. Watson, and F.H.C. Crick Cold Spring Harbor Symposia on Quant. Biol. 18 1953 123
2. P.O. Löwdin Adv. Quant. Chem. 2 1965 213
3. M.F. Goodman Nature 378 1995 237
4. S.-P. Jiang, G. Raghunathan, K.-L. Ting, and J.C. Xuan J. Biomol. Struct. Dyn. 12 1994 367
5. O.M. Krechkivska, D.A. Kosach, O.O. Sudakov, and D.M. Hovorun Biopolimery i Kletka 19 2003 382
6. W.J. Hehre, L. Radom, P. v, R. Schleyer, and J.A. Pople Ab Initio Molecular Orbital Theory 1986 J. Wiley New York
7. V.I. Danilov, and V.M. Anisimov J. Biomol. Struct. Dyn. 22 2005 471
8. R.S. Fellers, D. Barsky, F. Gygi, and M. Colvin Chem. Phys. Lett. 312 1999 548
9. C.-C. Lai, C.-C. Shen, and C.-H. Hu J. Chin. Chem. Soc. 48 2001 145
10. E. Artacho, M. Machado, D. Sanchez-Portal, P. Ordejon, and J.M. Soler Mol. Phys. 101 2003 1587
11. E.C. Sherer, D.M. York, and C.J. Cramer J. Comput. Chem. 24 2003 57
12. M. Preuss, W.G. Schmidt, K. Seino, J. Furthmüller, and F. Bechstedt J. Comput. Chem. 25 2004 112
13. G. Chalasiński, and M.M. Szczȩśniak Chem. Rev. 94 1994 1723
14. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
15. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
16. K. Morokuma, and K. Kitaura P Politzer D.G. Truhlar Chemical Applications of Atomic and Molecular Electrostatic Potentials 1981 Plenum Press New York 215
17. W.J. Stevens, and W.H. Fink Chem. Phys. Lett. 139 1987 15
18. M.S. Gordon, and J.H. Jensen The Encyclopedia of Computational Chemistry 1998 Wiley New York 3198
19. Alex A. Granovsky, Available from: www .
20. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery J. Comput. Chem. 14 1993 1347
21. N. Kurita, V.I. Danilov, and V.M. Anisimov Chem. Phys. Lett. 404 2005 164
22. P. Hobza, and J. Sponer J. Am. Chem. Soc. 124 2002 11802
23. J. Sponer, J. Leszczynski, and P. Hobza Biopolymers (Nucleic Acid Sciences) 61 2002 3
24. R.E. Dickerson, M. Bansal, C.R. Calladine, S. Diekmann, W.N. Hunter, O. Kennard, von E. Kitzing, R. Lavery, H.C.M. Nelson, W.K. Olson, W. Saenger, Z. Shakked, H. Sklenar, D.M. Soumpasis, C.-S. Tung, A.H.-J. Wang, and V.B. Zhurkin J. Mol. Biol. 208 1989 787
25. V.M. Komarov, R.V. Polozov, and G.G. Konoplev J. Theor. Biol. 155 1992 281
26. D.L. Sloane, M.F. Goodman, and H. Echols Nucleic Acids Res. 16 1988 6465
27. H. Echols, and M.F. Goodman Ann. Rev. Biochem. 60 1991 477
28. M.F. Goodman Proc. Natl. Acad. Sci. USA 94 1997 10493
29. M.D. Topal, and J.R. Fresco Nature 263 1976 285
30. V.I. Poltev, N.V. Shulyupina, and V.I. Bruskov Mol. Biol. (in Russian) 32 1998 268
31. V.I. Danilov, D.M. Hovorun, and N. Kurita Biopolimery i Kletka (in English) 21 2005 70