具有链间相互作用的双链半柔性链的螺旋稳定性
Helical stability of double-stranded semiflexible chains with interstrand interactions
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中文总结 AI 辅助
研究无外部约束时双链半柔性链中碱基配对和扭转弹性对全局形态转变的作用，通过由两条半柔性链组成的模型，发现其呈现多种形态相，计算高斯环绕数表征相转变。
中文摘要 AI 辅助
双链 DNA 的力学和结构特性已通过具有不同复杂程度和粗粒化方案的模型成功描述。先前的工作已经表征了外部约束下的局部堆积/扭曲效应和力 - 扭矩相图。然而，在没有外部约束的情况下，碱基配对和扭转弹性在全局形态转变中的作用仍未得到很好的表征。在此，我们研究了由两条半柔性链组成的模型中，碱基配对相互作用强度和扭曲能量之间的微妙平衡，以保持双螺旋结构。我们发现该模型呈现出几个不同的形态相：扁平、无规卷曲、双螺旋和解开的双螺旋。我们计算高斯环绕数来表征这些相之间的转变。
英文摘要
The mechanical and structural properties of dsDNA have been successfully described by models with varying levels of complexity and coarse-graining schemes. Prior work has characterized local stacking/twist effects and force-torque phase diagrams under external constraints. However, the role of base-pairing and torsional elasticity in global morphological transitions remain poorly characterized in the absence of external constraints. Here we investigate the delicate balance required for the strength of base-pairing interactions and the twisting energy to preserve the double-helix structure in a model made up of two semiflexible chains. We found that the model exhibits several distinct morphological phases: flat, random coil, double-helix, and the unwound double-helix. We calculate the Gauss linking number to characterize transitions between these phases.
