We aim at revealing the function mechanisms of membrane proteins by using multi-scale computer simulations, in collaboration with experimental studies. Our main interests currently involve the permeation mechanism of ion channels, signaling through membrane-associated proteins, and interaction between antimicrobial peptides and lipid bilayers. We also use machine learning-based methods for the structural and functional studies of membrane proteins.

Our ultimate goal is to contribute to membrane protein- or membrane-targeted drug design and optimization, and thereby to improve people's health at large.

我们运用多尺度计算机模拟的方法，与实验科学紧密合作，研究跨膜蛋白的功能机理。目前，我们的主要研究兴趣是离子通道的输运机制，跨膜蛋白信号转导以及抗菌肽和磷脂双层膜的相互作用等；我们也采用基于机器学习的方法研究膜蛋白的结构和功能。

我们的长期目标是从理论计算的角度辅助设计和优化针对膜蛋白和细胞膜的药物分子，从而为理解相关生命现象和促进人类健康做贡献。