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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.

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