dsDNA环形成的自回避蠕虫链模型
Self-avoiding worm-like chain model for dsDNA loop formation
摘要：
我们首次计算排除体积对双链DNA形成环的概率的影响。我们利用Monte-Carlo算法来生成自避免蠕虫状链的大集合，其用于计算不同长度尺度的J因子。在熵区，我们证实了标度理论预测的幂律下降-1.92，这是显着强于非自回避蠕虫状链模型预测的-1.5幂律。在弹性状态下，我们发现与角度无关的端到端链分布是高度各向异性的。这种各向异性，与排除的体积约束相结合，导致增加的J-因子的自我避免蠕虫状链约半个数量级相对于其非自我避免对应。这种增加可以部分解释最近环化实验的异常结果，其中发现短dsDNA分子形成环的倾向增加。
英文摘要：
We compute for the first time the effects of excluded volume on the probability for double-stranded DNA to form a loop. We utilize a Monte-Carlo algorithm for generation of large ensembles of self- avoiding worm-like chains, which are used to compute the J-factor for varying lengthscales. In the entropic regime, we confirm the scaling-theory prediction of a power-law drop off of -1.92, which is significantly stronger than the -1.5 power-law predicted by the non-self-avoiding worm-like chain model. In the elastic regime, we find that the angle-independent end-to-end chain distribution is highly anisotropic. This anisotropy, combined with the excluded volume constraints, lead to an increase in the J-factor of the self-avoiding worm-like chain by about half an order of magnitude relative to its non-self-avoiding counterpart. This increase could partially explain the anomalous results of recent cyclization experiments, in which short dsDNA molecules were found to have an increased propensity to form a loop.
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