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

Authors: Aurélien F. A. Moumbock, Simon Bray

Contributors: Aurélien F. A. Moumbock, Simon Bray

Scientific topics: Computational chemistry


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