Structure of biological targets and personalized medicine
Prof. Francesca Fanelli (Dep. of Life Sciences, Unimore)
3 CFU
Schedule: April-May 2021
Programme:
- Principles of protein structure:
secondary and supersecondary structures and selected examples of protein architectures and folds.
- Bioinformatics approaches to secondary and tertiary structure predictions:
methods of secondary structure predictions; comparative modeling approaches to 3D structure predictions;
methods for quality assessment of protein structures.
- Molecular Dynamics: protein motions;
molecular mechanics force fields and molecular dynamics simulations;
molecular dynamics analysis.
- Structural communication in protein systems:
graph theory-based approaches applied to protein structures to investigate allosteric communication in functionally different states and mutational effects on protein stability.
- Structure prediction of protein-protein and ligand-protein complexes:
search for small molecules for targeted therapy by structure-based virtual screening.
- Analysis of selected drug-target complexes employed in precision medicine.