HT4: Databases
T5 (tutorial): Exploring interactions in the CSD and PDB using IsoStar and SuperStar
This hands-on session will give participants experience of exploring interactions in crystal structures. We will see how IsoStar and SuperStar uses crystallographic information about non-bonded interactions to generate interaction maps within protein binding sites or around small molecules, i.e. to predict ‘hot-spots’ where a chosen interaction type is particularly favourable.
Learning Outcomes:
- How knowledge-based approaches can be used to understand interactions within a solid form.
- How to generate interaction maps within protein binding sites or around small molecules.
- Familiarity with CSD-Discovery tools that can help to understand interaction in the solid form.
