SCOPUS 정보 검색 플랫폼

Volumn 4, Issue 17, 2002, Pages 4192-4203

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solutiony: Part 1. Cytosine

(8) Trygubenko, Semen A a Bogdan, Tetyana V a Rueda, Manuel b Orozco, Modesto b Luque, F Javier b Šponer, Jiří c Slavíček, Petr c Hobza, Pavel c

a NATIONAL UNIVERSITY OF KYIV MOHYLA ACADEMY (Ukraine)

b UNIVERSITY OF BARCELONA (Spain)

c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOL DERIVATIVE; CYTOSINE DERIVATIVE; NUCLEIC ACID; SOLVENT;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CORRELATION ANALYSIS; GAS ANALYSIS; HYDRATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR STABILITY; MONTE CARLO METHOD; NUCLEIC ACID ANALYSIS; NUCLEIC ACID STRUCTURE; PREDICTION;

EID: 84962432615 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b202156k Document Type: Article

Times cited : (191)

References (91)

1
- 0003766353
- Springer, Berlin
- (1991) Hydrogen Bonding in Biological Structures
- Jefrey, G.A.¹ Saenger, W.²

2
- 0038497542
- (1953) Nature , vol.171 , pp. 737
- Watson, J.D.¹ Crick, F.H.C.²

3
- 0003458038
- Springer Verlag, New York
- (1984) Principles of Nucleic Acid Structure
- Saenger, W.¹

4
- 0029152215
- (1995) Annu. Rev. Biophys. Biomol. Struct. , vol.24 , pp. 463
- Geirstanger, B.H.¹ Wemmer, D.E.²

5
- 0001044225
- (1975) Adv. Heterocycl. Chem. , vol.18 , pp. 199
- Kwiatkowski, J.S.¹ Pullman, B.²

6
- 0017148262
- (1976) Nature , vol.260 , pp. 285
- Topal, M.D.¹ Fresco, J.R.²

7
- 84962386826
- (1998) Chem. Soc. , vol.120 , pp. 6147
- Soliva, R.¹ Laughton, C.A.² Luque, F.J.³

8
- 0029998770
- (1996) J. Biomol. Struct. Dyn. , vol.13 , pp. 695
- Šponer, J.¹ Leszczynski, J.² Vetterl, V.³ Hobza, P.⁴

9
- 0031749572
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 6147
- Špackova, N.¹ Berger, I.² Egli, M.³ Šponer, J.⁴

10
- 0001063056
- (1998) J. Phys. Chem. A , vol.102 , pp. 10374
- Zhanpeisov, N.U.¹ Šponer, J.² Leszczynski, J.³

11
- 0033151861
- (1999) Nucleic Acids Res. , vol.27 , pp. 2248
- Soliva, R.¹ Luque, F.J.² Orozco, M.³

12
- 0034269740
- (2000) J. Phys. Chem. A , vol.104 , pp. 8570
- Barsky, D.¹ Colvin, M.E.²

13
- 0001560982
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 6616
- Lippert, B.¹ Schollhorn, H.² Thewalt, U.³

14
- 0001038151
- (1997) Inorg. Chem. , vol.36 , pp. 1583
- Zamora, F.¹ Kunsman, M.² Sabat, M.³ Lippert, B.⁴

15
- 0000245686
- (1999) J. Phys. Chem. A , vol.103 , pp. 11406
- Šponer, J.¹ Šponer, J.E.² Gorb, L.³ Leszczynski, J.⁴ Lippert, B.⁵

16
- 84988771437
- (1997) Acc. Chem. Res. , vol.10
- Beak, P.¹

17
- 0000965687
- (1999) Chem. Rev. , vol.99 , pp. 3247
- Hobza, P.¹ Šponer, J.²

18
- 84988744927
- J. Phys. Chem.
- Šponer, J.¹ Hobza, P.²

19
- 0030731143
- (1997) J. Mol. Struct. , vol.413 , pp. 271
- Fogarasi, G.¹

20
- 84962408614
- (2000) Chem. Phys. , vol.253 , pp. 13
- Aleman, C.¹

21
- 0001580584
- (1989) J. Phys. Chem. , vol.93 , pp. 4001
- Les, A.¹ Adamowicz, L.² Bartlett, R.J.³

22
- 0042117475
- (1994) J. Phys. Chem. , vol.98 , pp. 5653
- Estrin, D.A.¹ Paglieri, L.² Corongiu, G.³

23
- 0000462625
- (1999) J. Phys. Chem. A , vol.103 , pp. 6612
- Ha, T.K.¹ Keller, H.J.² Gunde, R.³ Gunthard, H.H.⁴

24
- 0035942929
- (2001) J. Phys. Chem. B , vol.105 , pp. 4735
- Russo, N.¹ Toscano, M.² Grand, A.³

25
- 0035944462
- (2001) J. Am. Chem. Soc. , vol.23 , pp. 10272
- Russo, N.¹ Toscano, M.² Grand, A.³

26
- 30544432269
- (1989) Spectrochim. Acta Part A , vol.45 , pp. 229
- Nowak, M.J.¹ Lapinski, L.² Fulara, J.³

27
- 0037149133
- (2002) J. Phys. Chem. A , vol.106 , pp. 1381
- Fogarasi, G.¹

28
- 0034654078
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 1281
- Van Mourik, T.¹ Benoit, D.M.² Price, S.L.³ Clary, D.C.⁴

29
- 0033927994
- (2000) Acc. Chem. Res. , vol.33 , pp. 441
- Clary, D.C.¹ Benoit, D.M.² Van Mourik, T.³

30
- 84961979214
- (1998) J. Phys. Chem. A , vol.102 , pp. 10813
- Kobayashi, R.¹

31
- 0001442135
- (2000) Chem. Phys. Lett. , vol.317 , pp. 437
- Sambrano, J.R.¹ Souza, A.R.² Queralt, J.J.³ Andrés, J.⁴

32
- 0035280772
- (2001) J. Phys. Chem. A , vol.105 , pp. 1288
- Kryachko, E.S.¹ Nguyen, M.T.² Zeegers-Huyskens, T.³

33
- 0035869050
- (2001) J. Phys. Chem. A , vol.105 , pp. 1934
- Kryachko, E.S.¹ Nguyen, M.T.² Zeegers-Huyskens, T.³

34
- 0034728483
- (2000) J. Mol. Struct. , vol.519 , pp. 1
- Chandra, A.K.¹ Nguyen, M.T.² Zeegers-Huyskens, T.³

35
- 0030015253
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6811
- Colominas, C.¹ Luque, F.J.² Orozco, M.³

36
- 0010360334
- (1998) Int. J. Quantum Chem. , vol.70 , pp. 4
- Gorb, L.¹ Leszczynski, J.²

37
- 84988773628
- (1997) Int. J. Quantum Chem. , vol.65 , pp. 996
- Gorb, L.¹ Leszczynski, J.²

38
- 0034798696
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 4578
- Jurečka, P.¹ Nachtigall, P.² Hobza, P.³

39
- 0031285828
- (1997) Theor. Chem. Acc. , vol.97 , pp. 158
- Kendall, R.A.¹ Früchtl, H.A.²

40
- 20344381993
- (1993) Chem. Phys. Lett. , vol.208 , pp. 359
- Feyereisen, M.¹ Fitzgerald, G.² Komornicki, A.³

41
- 20344365516
- (1993) Chem. Phys. Lett. , vol.213 , pp. 514
- Vahtras, O.¹ Almlöf, J.² Feyereisen, M.W.³

42
- 0001631020
- (1996) Chem. Phys. Lett. , vol.250 , pp. 470
- Bernholdt, D.E.¹ Harrison, R.J.²

43
- 4243539377
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

44
- 26344435738
- (1992) J. Chem. Phys. , vol.97 , pp. 2571
- Schaefer, A.¹ Horn, H.² Ahlrichs, R.³

45
- 26344435738
- (1992) J. Chem. Phys. , vol.97 , pp. 2571
- Schaefer, A.¹ Huber, C.² Ahlrichs, R.³

46
- 0034300441
- (2000) J. Phys. Chem. A , vol.104 , pp. 9062
- Dunning T.H., Jr.¹

47
- 0002347059
- (1998) Chem. Phys. Lett. , vol.294 , pp. 45
- Truhlar, D.G.¹

48
- 0001360843
- (1999) J. Phys. Chem. A , vol.103 , pp. 5129
- Fast, P.L.¹ Sánchez, M.L.² Truhlar, D.G.³

49
- 84962354018
- (2000) J. Chem. Phys. , vol.113 , pp. 8881
- Varandas, A.J.C.¹

52
- 0029011701
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5179
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz, K.M.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.E.⁹ Kollman, P.¹⁰

53
- 11744256643
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

54
- 84961981091
- (1999) Chem. Rev. , vol.99 , pp. 2161
- Cramer, C.J.¹ Truhlar, D.G.²

55
- 0034314630
- (2000) Chem. Rev. , vol.100 , pp. 4187
- Orozco, M.¹ Luque, F.J.²

56
- 0035917231
- (2001) Mol. Phys. , vol.99 , pp. 525
- Butler, P.R.¹ Ellis, A.M.²

57
- 0000712654
- (2000) Chem. Phys. Lett. , vol.319 , pp. 547
- Tsuzuki, S.¹ Uchimaru, T.² Matsumura, K.³ Mikami, M.⁴ Tanabe, K.⁵

58
- 0034326833
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 4906
- Kabeláč, M.¹ Ryjáček, F.² Hobza, P.³

59
- 0035928126
- (2001) J. Phys. Chem. B , vol.105 , pp. 5804
- Kabeláč, M.¹ Hobza, P.²

60
- 0000259941
- (1998) J. Phys. Chem. A , vol.102 , pp. 6921
- Kratochvíl, M.¹ Engkvist, O.² Šponer, J.J.³ Jungwirth, P.⁴ Hobza, P.⁵

61
- 7244250085
- (1986) J. Chem. Phys. , vol.85 , pp. 5943
- Amar, F.G.¹ Berry, S.²

62
- 0003846219
- (1992) Package of MD programs for molecular clusters
- Heindenreich, A.¹ Jortner, J.²

63
- 0000730887
- (1998) J. Phys. Chem. B , vol.102 , pp. 8070
- Fox, T.¹ Kollman, P.A.²

64
- 84988141603
- (1984) J. Comput. Chem. , vol.5 , pp. 486
- Hopfinger, A.J.¹ Pearlstein, R.A.²

65
- 84988761713
- (1967) J. Mol. Biol. , vol.24 , pp. 345
- Cieplak, P.¹ Cornell, W.D.² Bayly, C.I.³ Kollman, P.A.⁴

66
- 0002007757
- (1989) Mol. Phys. , vol.214 , pp. 15
- Boys, S.F.¹ Bernardi, F.²

67
- 0035425603
- (2001) J. Comput. Chem. , vol.21 , pp. 1180
- Curutchet, C.¹ Orozco, M.² Luque, F.J.³

68
- 84986518879
- (1995) J. Comput. Chem. , vol.16 , pp. 563
- Orozco, M.¹ Bachs, M.² Luque, F.J.³

69
- 33748650102
- (1996) J. Phys. Chem. , vol.100 , pp. 4269
- Luque, F.J.¹ Zhang, Y.² Aleman, C.³ Bachs, M.⁴ Gao, J.⁵ Orozco, M.⁶

70
- 84962338805
- (1996) J. Comput. Chem. , vol.17 , pp. 806
- Luque, F.J.¹ Aleman, C.² Bachs, M.³ Orozco, M.⁴

71
- 84962432699
- (1982) Chem. Phys. , vol.65 , pp. 239
- Miertus, S.¹ Tomasi, J.²

72
- 84946893847
- (1981) Chem. Phys. , vol.55 , pp. 117
- Miertus, S.¹ Scrocco, E.² Tomasi, J.³

73
- 84962425623
- (1997) Theor. Chem. Acc. , vol.96 , pp. 105
- Luque, F.J.¹ López-Bes, J.M.² Cemelí, J.³ Aroztegui, M.⁴ Orozco, M.⁵

74
- 0004117434
- Department of Biochemistry, Univ. of Toronto, Canada. Version modified by R. Cammi and J. Tomasi, 1987 and by F.J. Luque and M. Orozco
- (2000) MonsterGauss
- Peterson, M.¹ Poirier, R.²

75
- 0004016501
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

76
- 0025728614
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 2810
- Pranata, J.¹ Wierschke, S.G.² Jorgensen, W.L.³

77
- 0004286147
- Yale University, New Haven, CT
- (1999) BOSS, Version 4.2
- Jorgensen, W.L.¹

78
- 0024551678
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 2308
- Brown, R.D.¹ Godfrey, P.D.² McNaughton, D.³ Pierlot, A.P.⁴

79
- 0001386146
- (1984) J. Mol. Struct. , vol.116 , pp. 387
- Radchenko, E.D.¹ Sheina, G.G.² Smorygo, N.A.³ Blagoi, Y.P.⁴

80
- 0010358605
- (1988) J. Mol. Struct. , vol.172 , pp. 101
- Kuczera, K.¹ Szczesniak, M.² Szczepaniak, K.³

81
- 33845279530
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 8319
- Szczepaniak, K.¹ Szczesniak, M.² Person, W.B.³

82
- 37948998601
- (1994) J. Mol. Struct. (THEOCHEM) , vol.305 , pp. 35
- Šponer, J.¹ Hobza, P.²

83
- 33751158761
- (1994) J. Phys. Chem. , vol.98 , pp. 3161
- Šponer, J.¹ Hobza, P.²

84
- 0000155130
- (1996) J. Chem. Phys. , vol.105 , pp. 11042
- Bludsky, O.¹ Šponer, J.² Leszczynski, J.³ Špirko, V.⁴ Hobza, P.⁵

85
- 0028005530
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 709
- Šponer, J.¹ Hobza, P.²

86
- 0029869883
- (1996) J. Biomol. Struct. Dyn. , vol.13 , pp. 827
- Šponer, J.¹ Florian, J.² Leszczynski, J.³ Hobza, P.⁴

87
- 0032568852
- (1998) J. Mol. Biol. , vol.279 , pp. 1123
- Luisi, B.¹ Orozco, M.² Šponer, J.³ Luque, F.J.⁴ Shakked, Z.⁵

88
- 0033554872
- (1999) Biochemistry , vol.38 , pp. 16443
- Vlieghe, D.¹ Šponer, J.² Van Meervelt, L.³

89
- 84962353742
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 583
- Dreyfus, M.¹ Bensaude, O.² Dodin, G.³ Dubois, J.E.⁴

90
- 0035906798
- (2001) Chem. Eur. J. , vol.10 , pp. 2067
- Kabeláč, M.¹ Hobza, P.²

91
- 0030047369
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 3010
- Florian, J.¹ Leszczynski, J.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.