Similarity based docking (HomDock)
is a combination of the ligand based GMA molecular alignment tool and our
docking tool GlamDock. It is used to improve docking accuracy and
efficiency in cases where a complex structure of a ligand with the target protein is known. The
approach can be extended to cases where a known ligand exists, however the complex structure is
unknown, so only the identity of an active molecule is needed to improve efficiency of docking.
HomDock docks in less than 0.5 seconds on average on a standard PC, and shows significantly higher
accuracy than normal docking in cross docking benchmarks