蛋白质酶功能分析和预测方法的进展和前瞻.

Enzymes are one of the most important biological molecules in organisms. Systematic study of the functions of enzymes is of great value to scientific research and industrial application. In recent years, the methods of enzyme function prediction based on computer technology have been developing and improving. Based on this context, this paper summarizes the main computational-based methods of enzyme function prediction, including the binding sites, molecular docking, dynamic simulation, and molecular design. Meanwhile, the developing trend is discussed and prospected in this paper. [ABSTRACT FROM AUTHOR]