A time-dependent quantum dynamics investigation of the guanine-cytosine system: a six-dimensional model.
The dynamics of the guanine-cytosine base pair has been studied in the time-dependent quantum approach. A six-dimensional model involving the nonlinear three hydrogen bridges has been utilized. The modifications induced in the hydrogen transfer from a base to the other by the explicit inclusion of the out-of-plane hydrogen atom position in the three bridges have been evidenced and the consequences on stacking interaction and base pair opening are considered. The relevance of these aspects in biological properties has been suggested.
Villani
Giovanni
G
Istituto per i Processi Chimico-Fisici, IPCF-CNR, Via G. Moruzzi, Pisa, Italy. villani@ipcf.cnr.it
D020029:Base Pairing; D003596:Cytosine / Q000737:chemistry*; D004247:DNA / Q000737:chemistry; D006147:Guanine / Q000737:chemistry*; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008954:Models, Biological; D008958:Models, Molecular; D011789:Quantum Theory; D013997:Time Factors
D006147:Guanine; D003596:Cytosine; D004247:DNA