Computational modelling of biomolecules can fill gaps between experimental techniques in structural biology and biophysics, and help the design and interpretation of experiments. The predictive power of molecular simulations is particularly well-known for structure and dynamics of folded proteins, but the same level of accuracy is yet to be reached for intrinsically disordered proteins, oligosaccharides or lipids that constitute biomembranes.
Principal investigators: Markus Miettinen, Tom Michoel, Nathalie Reuter, Susanna Röblitz.