蛋白–配体复合物的结构及其相互作用分子机制的虚拟仿真实验项目的建设与教学实践——COVID-19肺炎疫情防控时期线上教学的案例

Construction and Teaching Practice of a Virtual-Reality Experimental Project on the Protein-Ligand Complex Structure and Their Interaction Mechanism: Online Case Teaching and Learning during the COVID-19 Pandemic

The scale gap between the macro world and the micro world makes it impossible to directly observe the micro-structure, but chemical researchers must elucidate the properties of macro matter based on the micro-structure. Therefore, characterizing the micro-structure through the X-ray diffraction and other instruments is an important means to understand the micro world. However, it is hard for undergraduates to learn and understand the microstructure by using these scientific instruments due to the high instrumental running cost, complicated operation procedure and radiation safety issue. By integrating the construction concept of "combination of reality and practice", protein-ligand complexes crystallography research, the latest results of the theory of accurate prediction of ligand binding conformation, and the basic theoretical knowledge in the "Structural Chemistry Curriculum Group", we developed this virtual simulation experimental project by using modern information technology such as "3D virtual reality". This project will provide a useful method for the study of the theoretical foundation of chemistry, and development of thinking with chemical knowledge, scientific expression, and application abilities.