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利用分子结构的螺旋对称性 ,建立了一个包括钠离子的三链 DNA分子 poly(d T)· poly(d A)· poly(d T)的晶格动力学模型 ,计算了 poly(d T)· poly(d A)· poly(d T)的氢键呼吸模式。结果发现钠离子的加入明显地淬灭了位于较低频率的几个最为强烈的 Hoogensteen氢键呼吸模式 ,而对 Watson- Crick氢键呼吸模式影响不明显 ,这说明钠离子能提高 poly(d T)· poly(d A)· poly(d T)三螺旋结构的稳定性 .该计算结果很好地解释了 poly(d T)· poly(d A)· poly(d T)的热融化实验
The lattice dynamics model of poly (d T) poly (d A) · poly (d T) was established by using the helical symmetry of the molecular structure. The poly (d T) Hydrogen Bonded Breathing Patterns of poly (d A) · poly (d T). The results showed that the addition of sodium ion significantly quenched several of the most intense Hoogensteen hydrogen bonding respiration patterns at lower frequencies, while the effect on Watson-Crick hydrogen bonding respiration pattern was not obvious, indicating that sodium ion can increase poly (d T ) · Stability of the poly (d A) · poly (d T) triple helix structure This calculation well accounts for the thermal melting experiment of poly (d T) · poly (d A) · poly