中文摘要：

由于受时间和空间分辨率的限制，用于研究生物大分子的实验技术不能得到体系具体分子的运动性质。基于经典物理理论的分子动力学模拟，采用全原子力场，可以计算分子的运动轨迹，进而对体系进行整体及细化分析。随着核酸、蛋白等分子力场的开发，分子动力学模拟在核酸研究中的应用也越来越多。本综述列举了分子动力学模拟在核酸研究领域的成功应用，指出目前该技术的局限性以及对其所做的改进，并对分子动力学模拟在核酸领域的应用前景做了展望。

英文摘要：

Due to the limitations of spatial and temporal resolutions, it was hard for experimental techniques to provide dynamical information of specific molecules. Through the molecular dynamics simulation based on classical physics, and with the help of all-atom force fields, molecular trajectories could be deduced and the integral and detailed analysis of the system could be carried out. With the development of the force fields, especially those related to nucleic acids and amino acids, there were the increasing applications of classical molecular dynamics （CMD） simulations in nucleic-acid related researches. In this review, we presented the successful applications of CMD simulations in nucleic-acid studies, its limitations and improvement. Finally, we made a clear prospect of CMD simulations in the field of nucleic-acid related research.