蛋白质空间结构的实验技术和理论方法

文章主要介绍几种蛋白质空间结构的实验测定方法，在现代生物学研究中，最常用的方法包括X射线晶体学、二维核磁共振（2D-NMR）和低温冷冻电镜，近几年发展起来的单分子技术在生物大分子动态结构的研究中应用越来越多，这些方法都有它们特定的时间和空间分辨率，所测定的结构及其动力学受环境热运动涨落的影响也非常不同，文章对这些问题作了较详细的分析，在蛋白质结构的理论方法方面，介绍了一个新的折叠理论及其与现有折叠模型的关系．讨论了模拟计算在研究蛋白质构象变化和动力学方面的应用，同时强调了分子动力学和蒙特卡罗方法．指出粗粒化模型是研究的热点之一，对生物学中经常遇到的多长度多时问尺度问题提供了一个可行的解决方案。

Experimental and theoretical methods for the analysis of the spatial structure of protein

This review describes several experimental methods of determining the three-dimensional structures of proteins. In modern biological structure research, the most widely used methods are X-ray crystallography, 2D- nuclear magnetic resonance, and cryo-electron microscopy. The single - molecule technique developed in recent years is finding more and more applications in the studies of dynamics of the biological macromolecules. These methods all have their specific resolutions in temporal and spatial dimensions. The observed structures and dynam- ics are affected to different degrees and in different ways by the surrounding thermal motions and fluctuations. Therefore, a more detailed analysis of these different effects is presented here. With regard to theoretical methods for protein structure analysis, a new folding theory and its relationship to other folding theories is described. In the discussion of the application of simulation methods in studying protein conformational change and dynamics, both molecular dynamics and Monte Carlo methods are emphasized. It is pointed out that biological problems often involve the treatment of multitime and muhilength scale phenomena. Thus, the coarse - grain approach is a feasible solution and a focus of recent development. The author hopes that this review will inspire more collaboration between theoreticians and experimentalists so that we may obtain a better understanding of how protein works