This projects aim is to extract and apply a pharmacophore hypothesis on the protein choosen for the previous tasks.
I used the ligand based approach from talktorial 9 and tried to do the screening then like in talktorial 4 but this did not go exactly as I wanted it.
All in all I first repeated the steps from talktorial 8 and also from 1 and 2 to get all the files for my choosen protein, which was: uniprot_id = "P08246" = Neutrophil elastase
Then I extracted the ligand s and used one of them to perform the screening namely pdb_id = 5ABW = Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases
I hope that this is near to what we were supposed to do and I am looking forward to fix the mistakes.