has output Protein-ligand complex Protein complex Molecular docking Macromolecular docking Docking simulation beta12orEarlier This includes protein-protein interactions, protein-nucleic acid, protein-ligand binding etc. Methods might predict whether the molecules are likely to bind in vivo, their conformation when bound, the strength of the interaction, possible mutations to achieve bonding and so on. Model the structure of a protein in complex with a small molecule or another macromolecule. Protein function prediction Structure analysis