Artur Soares

3 Questions 1 Answers 0 Followers

Questions related from Artur Soares

How to differentiate agonists from antagonists in a database like CHEMBL?

Hello, I'm starting my project, in which I need to use QSAR to search for possible CB2 agonists. To do this, the first step is to create a database containing molecules with known CB2 agonist...

19 January 2023 4,928 0 View

How do I do a Docking Virtual Screening in GOLD?

I know how to dock a molecule in a protein using GOLD. But now I need to dock my whole database, and I don't really know how. My database comes in several smi files, which have the SMILES and...

01 June 2021 3,930 3 View

How do I combine several smi files?

My database is divided in several smi files with the SMILES and ZINC_id for several molecules. I need to combine all of these smi files into one. How can I do this?

01 June 2021 4,862 0 View