Protein-ligand docking workflow.

Schematic flow diagram, showing the logical flow of staged processes in the JMS molecular docking pipeline. Each stage is related to a step required in preparation of small molecule docking with Autodock4. Indicated are each stage as well as the ADT scripts used to execute each respective process. The process requires the protein receptor and ligand of interest in PDB file format, and on completion returns a docking log file containing all docking results.