Research

My research interests are in developing approximate quantum chemistry methods for large molecular systems and in using multi-scale modeling approaches to study complex molecular systems.

The research topics of my group include:

• Modeling of protein structures 
The protein is one of the most important bio-macromolecules. Protein structures are essential for biological studies and structure-based drug design. Through applying and developing various modeling approaches, we aim to predict protein structures to be useful for structure-based drug design and biological studies.

• Computational studies of protein-ligand systems 
The knowledge of protein-ligand interactions is essential for structure-based drug design and understanding of many biological processes. Through applying new modeling methods to the study of protein-ligand systems, we aim to elucidate the mechanism of protein-ligand interactions and explore new opportunities in drug design.