基于动态顺应性的蛋白质去折叠的Chetaev不稳定性框架
Chetaev Instability Framework for Kinetostatic Compliance-Based Protein Unfolding
摘要：
了解蛋白质去折叠的过程在各种应用中起着至关重要的作用，例如基于折叠的蛋白质引擎的设计。使用成熟的基于动静力学顺应性（KCM）的方法建模的蛋白质构象动力学和最近的非线性控制理论的方法，基于KCM的蛋白质折叠，本文制定了蛋白质去折叠作为一个不稳定的控制分析/合成问题。根据这一提法，它表明，Chetaev不稳定性框架可以用来研究基于KCM的展开动力学。特别是，一个Chetaev函数的展开动力学的光镊和一类控制Chetaev函数的影响下，合成控制输入，延长蛋白质链从它们的折叠构象的分析。基于所提出的控制Chetaev函数，从Artstein-Sontag通用公式导出展开输入，并将结果与基于光镊的展开进行比较。
英文摘要：
Understanding the process of protein unfolding plays a crucial role in various applications such as design of folding-based protein engines. Using the well-established kinetostatic compliance (KCM)-based method for modeling of protein conformation dynamics and a recent nonlinear control theoretic approach to KCM-based protein folding, this paper formulates protein unfolding as a destabilizing control analysis/synthesis problem. In light of this formulation, it is shown that the Chetaev instability framework can be used to investigate the KCM-based unfolding dynamics. In particular, a Chetaev function for analysis of unfolding dynamics under the effect of optical tweezers and a class of control Chetaev functions for synthesizing control inputs that elongate protein strands from their folded conformations are presented. Based on the presented control Chetaev function, an unfolding input is derived from the Artstein-Sontag universal formula and the results are compared against optical tweezer-based unfolding.
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