蛋白质- 核酸对接方法研究进展

分子对接技术作为预测蛋白质-核酸复合物结构的有效方法,为研究在生物学过程中蛋白质-核酸的相互作用提供了重要的工具。本文首先分析了当前蛋白质-核酸对接研究中的主要困难,例如构象变化和核糖磷酸骨架的带电性问题。然后从构象搜索、打分函数、柔性策略三个方面比较和总结了蛋白质-核酸对接中主要的计算方法。最后回顾了蛋白质-核酸对接计算模型的应用,并对未来的工作进行了展望。

Progress in the Methods of Protein-nucleic Acid Docking

As an effective approach on the prediction of protein-nucleic acid complexes structures,molecular docking technology plays a central role in the study of protein-nucleic acid interactions during biological processes.In this article,we firstly analyzed the main difficulties in the protein-nucleic acid docking,such as the conformational changes and the highly charged sugar-phosphate backbone.Meanwhile,we compared and concluded the major computational methods of the conformational searching,scorning function and flexible strategy in the protein-nucleic acid docking.Finally,the existing applications of the protein-nucleic acid docking were given and the prospects of the future study were made.