Research in our group is focused on the applications of theoretical/computational methods to chemical and physical problems in biology and material science.
Specific research interests are:
- Protein/peptide interactions with/in biological membranes
- Transmembrane-induced signaling and regulation
- NMR structure calculation & refinement
- Modeling and simulation of glycoconjugates (GlycanStructure.ORG)
- Bacterial outer membranes and interactions with proteins
- Protein-ligand and protein-protein interactions (G-LoSA)
In addition, we are involved in developing the biomolecular simulation program CHARMM and its user interface CHARMM-GUI as well as ST-analyzer, a general graphical user interface toolset for simulation trajectory analysis.