Presentations and Practicals from Resources for Computational Drug Discovery

As discussed previously, I recently presented on the topics of cheminformatics and protein-ligand docking. The talks were slightly updated for the occasion, and are included below.

I also supervised a practical on cheminformatics involving the Open Babel GUI. This will be available as part of the regular OB documentation, but in the meanwhile, you can access it at ReadTheDocs. It covers file format conversion (surprise!), depiction, filtering, and similarity and substructure searching.

Here's my cheminformatics talk:

Cheminformatics from baoilleach

...and my protein-ligand docking talk:

Protein-ligand docking from baoilleach