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.