Fig. 4The crystallographic structure of the aryl acylamidase–acetaminophen complex is available for
download through the Protein Data Bank (PDB ID: 4YJI)
Fig. 5VMD provides a graphical user interface for biomolecular visualization, as well as a command line tool
equipped with numerous functions for MD simulation setup and analysis
Molecular Dynamics Simulations of Protein-Drug Complexes 253