与疾病相关蛋白的机理及药物设计的理论研究

1、生物酶反应机理的理论研究

2、蛋白质结构与功能关系的研究

3、药物小分子与蛋白质相互作用的理论研究

4、蛋白-蛋白相互作用的研究

5、药物设计

The research in  our group (the computational biology)  to study protein-ligand and protein-protein interactions, in particular actin interpalys with actin-binding proteins (ABPs). Also, how the small molecule affect the interaction between actin and ABPs. Actin is a family of globular multi-functional proteins that form microfilaments. 

Our group uses structure-based modeling to understand these biological processes, often in close collaboration with experimental groups. 

Students' study in our group:

1. protein structure prediction 

2. molecular docking 

3.molecular dynamics simulations 

4.structure-based drug design