论文标题
从单分子力光谱实验中重新固定动力学，接近平衡
Rebinding kinetics from single-molecule force spectroscopy experiments close to equilibrium
论文作者
论文摘要
分析单分子力光谱实验的键破裂数据通常取决于键解离过程是不可逆的。但是，随着仪器的时空分辨率的增加，现在可以在单个拉动实验中观察到多个解开的固定事件。在这里，我们通过明确考虑重新夹带动力学并提供所得速率方程的分析解决方案来增强力诱导的解体理论。此外，我们使用精确动力学的短时扩展来构建数值有效的最大似然估计量，以构造力依赖力的解体和重新夹带速率的参数，这些估计速率与建立的方法配对，例如对速率图的分析。我们提供了该理论的开源实施，并评估了类似钟形的速率，我们适用于Gillespie随机仿真算法生成的合成数据，以实现时间依赖性速率。
Analysis of bond rupture data from single-molecule force spectroscopy experiments commonly relies on the strong assumption that the bond dissociation process is irreversible. However, with increased spatiotemporal resolution of instruments it is now possible to observe multiple unbinding-rebinding events in a single pulling experiment. Here, we augment the theory of force-induced unbinding by explicitly taking into account rebinding kinetics, and provide approximate analytic solutions of the resulting rate equations. Furthermore, we use a short-time expansion of the exact kinetics to construct numerically efficient maximum likelihood estimators for the parameters of the force-dependent unbinding and rebinding rates, which pair well with and complement established methods, such as the analysis of rate maps. We provide an open-source implementation of the theory, evaluated for Bell-like rates, which we apply to synthetic data generated by a Gillespie stochastic simulation algorithm for time-dependent rates.
