Topic details
| Topic | NMR crystallography of active pharmaceutical ingredients |
|---|---|
| Supervisor | Jiří Brus, PhD |
| Consultant | Jiri Czernek, PhD |
| Department | NMR Spectroscopy |
| Description | In the NMR Department of the IMC there is an urgent need for lowering the computational cost and at the same time increasing the robustness of the crystal structure prediction-based NMR crystallography approach to structural elucidation of powders and other forms of molecular solids. The project aims at analyses of the crystal-symmetry elements together with other geometry parameters in order to find and implement structural constraints and/or restraints into our NMR crystallography protocol. In addition, extensive database searches of the investigated structural motifs will be used. |
| Universities |
