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Protein mechanical unfolding: A model with binary variables

机译:蛋白质机械展开:具有二元变量的模型

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摘要

A simple model, recently introduced as a generalization of the Wako-Saito model of protein folding, is used to investigate the properties of widely studied molecules under external forces. The equilibrium properties of the model proteins, together with their energy landscape, are studied on the basis of the exact solution of the model. Afterwards, the kinetic response of the molecules to a force is considered, discussing both force clamp and dynamic loading protocols and showing that theoretical expectations are verified. The kinetic parameters characterizing the protein unfolding are evaluated by using computer simulations and agree nicely with experimental results, when these are available. Finally, the extended Jarzynski equality is exploited to investigate the possibility of reconstructing the free energy landscape of proteins with pulling experiments.
机译:最近引入了一个简单的模型,作为蛋白质折叠的Wako-Saito模型的概括,用于研究在外力作用下被广泛研究的分子的特性。在模型的精确解的基础上研究了模型蛋白质的平衡特性及其能量分布。之后,考虑了分子对力的动力学响应,讨论了力钳和动态加载方案,并证明了理论上的期望。使用计算机模拟评估表征蛋白质解折叠的动力学参数,并在可行时与实验结果很好地吻合。最后,利用扩展的Jarzynski等式来研究通过拉实验重建蛋白质自由能态的可能性。

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