蛋白质折叠的计算机模拟研究进展

Research Progress in Computer Simulations of Protein Folding

蛋白质折叠是结构生物学领域有待解决的重要科学问题,计算机模拟方法是研究蛋白质折叠的主要手段之一.对蛋白质折叠的计算机模拟研究进展进行了简要介绍,主要内容包括:全原子分子动力学模拟、Gō模型以及弹性网络模型的主要思路及其在蛋白质折叠研究中的应用.

Protein folding is an unsolved important scientific problem in the field of structural biology.Computer simulation is one of the main methods for the study of protein folding. The research progress in the computer simulations of protein folding was briefly introduced. The main contents in this paper include： the primarily methods of all-atomic molecular dynamics simulation,Gō model and elastic network model,as well as their implications in the study of protein folding.