Hi there, I have a list of compounds for docking. How do I concatenate them all together (in SMILES) in a single file? Or else I have to dock one by one? Thank you in advance !!
Have you seen our introductory tutorial on protein-ligand docking? Protein-ligand docking
It explains how to dock a list of compounds to a protein, starting from a list of SMILES, like you describe.
To concatenate multiple SMILES datasets, try searching for a tool like Concatenate datasets.