Nanotechnology Platform for Identification of Ligand Binding Sites on a Protein

The ability to identify target ligand binding sites on a protein surface is of great importance to drug design, discovery and screening, as well as general and bionanotechnology research. Protein-ligand interactions allow for a complex network of molecular interactions. While it is possible to experimentally screen large amounts of binders, computational prediction methods for binding sites are still not at the level that would allow one to in silico off-load the binding site design. Currently available machine learning methods can annotate likely binding sites, but often contain many false positives.