Ligand superimposition is a technique used in molecular modeling to align two or more ligands based on their structural similarity. This technique is commonly employed in computer-aided drug design (CADD) to compare the binding modes of different ligands to a target protein.
Ligand superimposition can provide valuable insights into the structure-activity relationship (SAR) of a series of ligands. By aligning the ligands based on their common pharmacophore, researchers can identify key structural features that are essential for binding to the target protein. This information can be used to design new ligands with improved affinity and selectivity.
