We use PARITY similarity to compare ligands within an EC class for a bound entity. Finding the most similar cognate ligands to a cognate ligand would also be useful - however could prove to be a very time consuming one-time exercise (could test running on a subset and get mean run time to extrapolate).
This could prove useful for exploring potential for promiscuity in enzymes.
We use PARITY similarity to compare ligands within an EC class for a bound entity. Finding the most similar cognate ligands to a cognate ligand would also be useful - however could prove to be a very time consuming one-time exercise (could test running on a subset and get mean run time to extrapolate).
This could prove useful for exploring potential for promiscuity in enzymes.