Our researches focus on structure, dynamics, and functions of biomolecules and molecular complexes. We develop computational approaches for more efficient and accurate modeling of biomolecules and their interactions. We also apply these methodologies to study various physically and biologically important questions. Here are the list on-going and potential research directions.

1. Mitigation of amyloid aggregation and toxicity

2. Inhibit amyloid aggregation and cytotoxicity of islet amyloid polypeptide in type-2 diabetes

3. Interactions between nanomaterials and biomolecules at the Nano-Bio interface

4 Structure, dynamics, and function relationship of biomolecules and molecular complexes

5. Functional amyloid

6. Protein folding, misfolding, and aggregation

7. RNA folding, 3D structure prediction, and engineering

8. Molecular recognition, docking and drug screening

9. Molecular modeling, engineering and design

10. Post-translational modification

11. Computational physics

Our works are impossible without the generous supports from the funding agencies: