Campa A, Giansanti A
Physics Laboratory, Istituto Superiore di Sanità and INFN Sanità, Viale Regina Elena 299, 00161 Roma, Italy.
J Biol Phys. 1999 Jun;24(2-4):141-55. doi: 10.1023/A:1005166612156.
We compare experimental melting curves of short heterogeneous DNA oligomers with theoretical curves derived from statistical mechanics. Partition functions are computed with the one-dimensional Peyrard-Bishop (PB) Hamiltonian, already used in the study of the melting of long DNA chains. Working with short chains we take into account, in the computations, not only the breaking of the interstrand hydrogen bonds, but also the complete dissociation of the double helix into separate single strands. Since this dissociation equilibrium is of general relevance, independent of the particular microscopic model, we give some details of its treatment. We discuss how the non bonded three-dimensional interactions, not explicitly considered in the one-dimensional PB model, are taken into account through the treatment of the dissociation equilibrium. We also evaluate the relevance of the dissociation as a function of the chain length.
我们将短的异质DNA寡聚物的实验熔解曲线与从统计力学推导的理论曲线进行比较。使用一维佩拉尔 - 毕晓普(PB)哈密顿量计算配分函数,该哈密顿量已用于长DNA链熔解的研究。对于短链,我们在计算中不仅考虑链间氢键的断裂,还考虑双螺旋完全解离成单独的单链。由于这种解离平衡具有普遍相关性,与特定的微观模型无关,我们给出了其处理的一些细节。我们讨论了如何通过解离平衡的处理来考虑一维PB模型中未明确考虑的非键合三维相互作用。我们还评估了解离与链长的函数关系的相关性。