Intrinsic rates and activation free energies from single-molecule pulling experiments
Intrinsic rates and activation free energies from single-molecule pulling experiments
复制标题
DOI：
10.1103/physrevlett.96.108101
复制
发表时间：
2006-03-17
影响因子：
8.6
通讯作者：
Szabo, A
中科院分区：
文献类型：
--
作者：
Dudko, OK;Hummer, G;Szabo, A
我们提出了一个统一的框架提取动力学信息的单分子在恒定的力或恒定的拉速拉实验。我们的方法不仅提供了（i）内禀速率系数和（ii）过渡态的位置，而且还提供了（iii）活化自由能的估计。通过分析模拟数据，我们表明，由此产生的力引起的破裂率是显着更可靠的比广泛使用的方法的基础上贝尔公式。我们认为所提取的动力学信息的独特性，并建议指导方针，以避免过度解释的实验。
We present a unified framework for extracting kinetic information from single-molecule pulling experiments at constant force or constant pulling speed. Our procedure provides estimates of not only (i) the intrinsic rate coefficient and (ii) the location of the transition state but also (iii) the free energy of activation. By analyzing simulated data, we show that the resulting rates of force-induced rupture are significantly more reliable than those obtained by the widely used approach based on Bell's formula. We consider the uniqueness of the extracted kinetic information and suggest guidelines to avoid overinterpretation of experiments.