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Thermomechanics of a heterogeneous fluctuating chain

机译:异构波动链的热力学

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In this paper we present a theory to efficiently calculate the thermo-mechanical properties of fluctuating heterogeneous rods and chains. The central problem is to evaluate the partition function and free energy of a general heterogeneous chain under the assumption that its energy can be expressed as a quadratic function in the kinematic variables that characterize the configurations of the chain. We analyze the effects of various types of boundary conditions on the fluctuations of the rods and chains and show that our results are in agreement with recent work on homogeneous rods. The results for the heterogeneous chains are verified through Monte Carlo simulations. Finally, we consider a special heterogeneous chain with only two bending moduli and use it as a model to interpret experiments on partially unfolded protein oligomers.
机译:在本文中,我们提出了一种理论,可以有效地计算波动的异质杆和链的热机械性能。中心问题是在假设其能量可以在表征链构型的运动变量中表示为二次函数的假设下,评估其分布函数和自由能。我们分析了各种边界条件对杆和链条波动的影响,并表明我们的结果与最近对均质杆的研究相吻合。异构链的结果通过蒙特卡洛模拟得到验证。最后,我们考虑只有两个弯曲模量的特殊异质链,并将其用作模型来解释部分未折叠的蛋白质寡聚体的实验。

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