An in silico study of the protonated DNA triplex: In vivo stability of C(+)GC in a DNA triple helix

作者：Jung Jiwon; Lee Sang Hak^*

来源：Chemical Physics Letters, 2010, 495(1-3): 117-120.

DOI：10.1016/j.cplett.2010.06.045

Protonated DNA base pairs, particularly the Cytosine-Guanine-Cytosine (CGC) triple pairs, were investigated its relative energetics by theoretical calculations. The energetic stabilities of C(+)GC and CG(+)C are almost the same in the gas phase, although the C(+)G pair is more stable than CG(+) by ca. 1150 cm (1) (3.34 kcal/mol). It is to be noted, however, that only C(+)GC was found in vivo, which seems to indicate different chemical environments for the triple pairs in vivo.

• 出版日期2010-7-29