Theory of single-molecule biophysics

在单分子实验中，力可以直接施加在单个分子上，它们的响应可以作为时间的函数来跟踪。这些实验揭示了关于单个生物分子的结构、动力学和相互作用的基本新颖和独特的信息。 在与Szabo博士(NIDDK，NIH)的合作下，我们继续发展形式主义，从单分子力谱实验中提取准确的动力学和热力学信息。我们可以展示系统的自由能如何转化为底层的分子自由能表面，这就是感兴趣的量(1)。作为这项工作的一部分，我们还发展了一个类似于反应扩散模型的框架内受力破裂动力学的理论描述。 1.G.Hummer，A.Szabo，单分子拉动实验的自由能分布，Proc。娜塔莉。阿卡德。SCI。美国第107,21441-21446(2010年)。

In single-molecule experiments forces can be exerted directly on individual molecules and their response can be followed as a function of time. These experiments reveal fundamentally novel and unique information on the structure, dynamics, and interactions of individual biomolecules. In collaboration with Dr. Szabo (NIDDK, NIH), we have continued our development of formalisms to extract accurate kinetic and thermodynamic information from single-molecule force spectroscopy experiments. We could show how system free energies can be transformed into the underlying molecular free energy surface, which is the quantity of interest (1). As part of this work, we also developed a theoretical description of the kinetics of rupture under force in a framework similar to a reaction-diffusion model. 1. G. Hummer, A. Szabo, Free energy profiles from single-molecule pulling experiments, Proc. Natl. Acad. Sci. USA 107, 21441-21446 (2010).