论文标题
部分可观测时空混沌系统的无模型预测
Coarse-graining DNA: Symmetry, non-local elasticity and persistence length
论文作者
论文摘要
虽然对介观尺度上双链DNA的行为相当众所周知，但对其与基本对量表中丰富的机械性能的关系知之甚少，例如，至关重要的是，这对于理解DNA蛋白质相互作用和核小体扩散机制至关重要。在这里，通过采用刚性基对模型，我们将其显微镜参数连接到持久性长度。结合全原子分子动力学模拟，我们的方案在每个粗粒度步骤中识别不同自由度之间的相关耦合。这使我们能够阐明如何以系统的方式确定弹性模量的比例依赖性，该方法包括以前未被注意到不同奇偶校验的变形之间的现场耦合的作用。
While the behavior of double stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein interactions and the nucleosome diffusion mechanism. Here, by employing the rigid base pair model, we connect its microscopic parameters to the persistence length. Combined with all-atom molecular dynamic simulations, our scheme identifies relevant couplings between different degrees of freedom at each coarse-graining step. This allows us to clarify how the scale dependence of the elastic moduli is determined in a systematic way encompassing the role of previously unnoticed off site couplings between deformations with different parity.
