Research interests

• 计算结构生物学：蛋白质或催化酶的动态运动、结构功能关系、催化机制及与药物分子相互作用 (Computational structural biology studies on proteins and enzymes for their dynamic conformational changes, structure-function relationships, catalytic mechanisms, and their interactions with drug molecules)
• 生物物理学：生物膜及其中的重要小分子的运动规律 (Biophysical studies on dynamic motions of biomembrane and small molecules in it)
• 使用数据库、代谢网络、统计模型等生物信息辅助药物设计。(Computer-aided drug design using databases, metabolism networks, biostatistics)

• A cartoon of the general acid-base catalysis and DSAC (Dynamic substrate assisted catalysis) in acylation of Kumamolisin-As

• Shift of Rivaroxaban (RIV) from the S4 pocket into the S1' pocket in F174A mutant of coagulation factor Xa
  

• Passive transmembrane permeations of different monovalent ions