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Electronic structure of DNA dimer units, d(AA) · d(TT), d(TA)2, and d(AT)2, in A and B conformations by DV-Xα cluster calculations

Shinoda, Takako ; Shima, Nobuyuki ; Tsukada, Masaru

International journal of quantum chemistry, 1993-07, Vol.47 (1), p.59-84 [Periódico revisado por pares]

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Título:
Electronic structure of DNA dimer units, d(AA) · d(TT), d(TA)2, and d(AT)2, in A and B conformations by DV-Xα cluster calculations
Autor: Shinoda, Takako ; Shima, Nobuyuki ; Tsukada, Masaru
Assuntos: Biological and medical sciences ; Electronic structure ; Fundamental and applied biological sciences. Psychology ; Molecular biophysics ; Structure in molecular biology
É parte de: International journal of quantum chemistry, 1993-07, Vol.47 (1), p.59-84
Notas: istex:83EE2CFD7E1C3E1AE45DE439B2EA56F55AE811BF
ark:/67375/WNG-QLPR2051-X
ArticleID:QUA560470105
Descrição: The electronic structure of d(AA) · d(TT), d(TA)2 and d(AT)2, which are stacked base pairs in the DNA double helix, is elucidated for both A and B conformations in detail by DV–Xα cluster calculations. The results are compared with those of a previous study on the electronic structure of d(GG) · d(CC), d(CG)2, and d(GC)2. A hexanucleotide −10 sequence of the promoters in DNA transcription initiation, TATAAT, can be interpreted as the best sequence for the strong promoters by using the S̃r values of the O2 of each phosphate. The reactivity of polymerization at neighboring thymines in the AA/TT unit is discussed from the electronic structure. © 1993 John Wiley & Sons, Inc.
Editor: New York: John Wiley & Sons, Inc
Idioma: Inglês

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