Docking, Triggering, and Biological Activity of Dynemicin A in DNA: A Computational Study.

The triggering and biological activity of the naturally occurring enediyne dynemicin A (1) was investigated, both inside and outside the minor groove of the duplex 10-mer B-DNA sequence d(CTACTACTGG)·d(CCAGTAGTAG), using density functional theory (B3LYP with the 3-21 G and 6-31G- (d) basis set), BD(...

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Publicado en:Journal of the American Chemical Society Vol. 127; no. 26; pp. 9469 - 9485
Autores principales: Tuttle, Tell, Kraka, Elfi, Cremer, Dieter
Formato: Artículo
Publicado: American Chemical Society 7/6/2005
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Acceso en línea:Ver este registro en EBSCOhost