一种基于病毒三维重建进行分子模拟研究的基本思路

Basic Idea of Research on Molecular Simulation Based on Virus Three Dimensional Reconstruction

本文提出基于病毒的电镜三维重建图像展开分子模拟研究。在已经重建好的三维病毒结构密度图中,结合已知的分子序列的相应结构,预测病毒的结构和行为,尤其是病毒活性中心的结构分析,可为疾病的防治和药物的开发奠定基础。

This paper puts forward the simulation study about molecular simulation based on virus three- dimensional reconstruction from electron microscopy. In the reconstructed viral structure density images, combining with known corresponding structure of molecular sequence, to predict the structure and behavior of virus, especially in active centre, which could lay the foundation for the prevention of disease and drug development.