Identification of novel small molecule binders.
Starting with a three-dimensional protein structure / model we perform a customised series of in silico screens to identify top 1000 selective binders with drug like properties.
Over 1 million compounds are docked and filtered based on desired characteristics to identify top binders.
We can customise the computational screens to perform ligandbased similarity searches or pharmacophore-based screening (additional cost may apply).
Deliverables: Ranked list of top 1000 selective drug like compounds, including links to purchase compounds, written report and presentation to client (x2 - 1 hour call).