Starting with a three-dimensional protein structure / model with known potential binding sites, we perform a customised series of in silico screens to identify the top 1000 selective binders with drug like properties for your chosen binding site.
Over 1 million compounds are docked and filtered based on desired characteristics to identify top binders.
We can customise the computational screens to perform ligand-based similarity searches or pharmacophore-based screening (additional cost may apply).
We will provide you with a ranked list of top 1000 selective drug-like compounds, including links to purchase compounds, written report and present the results to your team as well as answer your questions (x2 - 1 hour call).