Pang Xiaodong, Zhou Huan-Xiang
Department of Physics, Florida State University, Tallahassee, Florida 32306; email:
Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306.
Annu Rev Biophys. 2017 May 22;46:105-130. doi: 10.1146/annurev-biophys-070816-033639. Epub 2017 Mar 30.
Whereas protein-ligand binding affinities have long-established prominence, binding rate constants and binding mechanisms have gained increasing attention in recent years. Both new computational methods and new experimental techniques have been developed to characterize the latter properties. It is now realized that binding mechanisms, like binding rate constants, can and should be quantitatively determined. In this review, we summarize studies and synthesize ideas on several topics in the hope of providing a coherent picture of and physical insight into binding kinetics. The topics include microscopic formulation of the kinetic problem and its reduction to simple rate equations; computation of binding rate constants; quantitative determination of binding mechanisms; and elucidation of physical factors that control binding rate constants and mechanisms.
尽管蛋白质-配体结合亲和力长期以来备受关注，但近年来结合速率常数和结合机制越来越受到重视。人们已经开发了新的计算方法和新的实验技术来表征这些性质。现在人们认识到，结合机制如同结合速率常数一样，可以而且应该进行定量测定。在这篇综述中，我们总结了关于几个主题的研究并综合了相关观点，希望能对结合动力学提供一个连贯的图景和物理层面的理解。这些主题包括动力学问题的微观表述及其简化为简单的速率方程；结合速率常数的计算；结合机制的定量测定；以及对控制结合速率常数和机制的物理因素的阐释。
