hands-on tutorial
Hands-on for 'Protein target prediction of a bioactive ligand with Align-it and ePharmaLib' tutorial
The questions this addresses are:
- What is a pharmacophore model?
- How can I perform protein target prediction with a multi-step workflow or the one-step Zauberkugel workflow?
The objectives are:
- Create an SMILES file of a bioactive ligand.
- Screen the query ligand against a pharmacophore library.
- Analyze the results of the protein target prediction.
Licence: Creative Commons Attribution 4.0 International
Keywords: computational-chemistry
Target audience: Students
Resource type: hands-on tutorial
Contributors: Aurélien F. A. Moumbock, Simon Bray
Scientific topics: Computational chemistry
Activity log