Protein ligand graph substructure comparison


This service allows you to find maximum common substructures in two graphs G1 and G2. It is based on searching cliques in the compatibility graph GC of G1 and G2. Enter the PDB and chain of the protein ligand graphs you want to compare below.




Note: Submitting the search will gather the graph data, compute a compatibility graph and run a variant of the Bron-Kerbosch algorithm on it. This may take some time, depending on the graph sizes. You will be presented a list of common substructures when the algorithm has finished.