Research
Our group is interested in both methodology developments and practical applications.
In terms of methodology, the main areas are:
- Force-field development
- Representation of electrostatic interactions
- Enhanced-sampling methods
- Free-energy calculation methods
- Algorithm development and implementation
In terms of applications, the main systems are:
- Organic molecules
- Ionic solvation
- Carbohydrates
- Lipids
- Peptides and proteins
- Nucleic acids
More information can be found in our scientific publications