Research activities
Protein folding:
- mechanism,
- thermodynamics,
- kinetics.
Noncovalent interactions:
- Hydrogen bonding,
- Electrostatics,
- Solvation,
- Van der Waals forces,
- Hydrophobic interactions,
- Conformational entropy.
Hierarchic protein structure:
- Secondary structures (conformational preferences),
- Supersecondary structures,
- Tertiary structure.
Unstructured proteins.
Various protein states:
- Denatured states,
- Amyloid fibrils,
- Metastable states.
Simulations of the protein folding and misfolding processes:
- Monte Carlo simulations,
- Molecular dynamics.
Predictions of secondary and three-dimensional protein structures.
Determination of three-dimensional structures of peptides and proteins by NMR spectroscopy.
Vibrational spectroscopy of biomolecules:
- Infrared spectroscopy,
- Raman spectroscopy.
Interactions ligand-receptor:
- Structure,
- Dynamics.
Peptide design.
Quantum chemistry of small model systems.