论文标题

第一阶段概率:DNA Hamiltonian参数的测试

First-passage probability: a test for DNA Hamiltonian parameters

论文作者

Zoli, Marco

论文摘要

提出了一种方法来为一维介质汉密尔顿模型选择合适的潜在参数集,该模型首先引入以描述DNA熔化的转变,然后扩展以研究核酸的热力学和动力学特性。 DNA碱基对波动被认为是时间依赖的轨迹,其初始条件设置了第一次通用概率的路径积分中实施的无交叉约束。在室温下执行路径积分,在基本对波动振幅的截止和模型参数之间建立了关系。特别是,表明非线性堆叠参数应为$ \ sim 1 $。这里开发的形式主义可用于计算DNA分子的三维螺旋模型中开放碱基对的寿命。

A method is proposed to select the suitable sets of potential parameters for a one-dimensional mesoscopic Hamiltonian model, first introduced to describe the DNA melting transition and later extended to investigate thermodynamic and dynamical properties of nucleic acids. The DNA base pair fluctuations are considered as time dependent trajectories whose initial condition sets the no crossing constraint enforced in the path integral for the first-passage probability. Performing the path integration at room temperature, relations are established between the cutoff on the amplitude of the base pair fluctuations and the model parameters. In particular, it is shown that the non-linear stacking parameter should be $\sim 1$. The formalism here developed may be applied to compute the lifetime of open base pairs in three-dimensional helical models for DNA molecules.

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