# Summary This tutorial aims to illustrate the process of protein-ligand docking, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Mitogen-activated protein kinase 14 (p38-α) protein (PDB code 3HEC), a well-known Protein Kinase enzyme, in complex with the FDA-approved Imatinib, (PDB Ligand code STI, DrugBank Ligand Code DB00619), a small molecule kinase inhibitor used to treat certain types of cancer. Workflow engine is a jupyter notebook. It can be run in binder, following the link given, or locally. Auxiliar libraries used are: nb\_conda_kernels, nglview, ipywidgets, plotly, and simpletraj. Environment can be setup using the included environment.yml file. # Parameters ## Inputs Parameters needed to configure the workflow: * **pdb_code**: PDB code of the experimental complex structure (if exists). * **ligand_code**: Ligand PDB code (3-letter code) for the small molecule (e.g. STI). ## Outputs Output files generated (named according to the input parameters given above): * **output\_structure**: generated protein-ligand complex