3D virtual screening with Surflex eSim3D

Sep 21, 2023

When exploring chemistry space around a known hit or lead, you can use 3D virtual screening to identify new compounds that are more likely to be active at your target to purchase and assay.

Using the Surflex eSim3D™ module in StarDrop™ you can screen large collections of purchasable compounds to quickly identify scaffold hops and novel actives. 3D conformers have been pre-generated for the vendor catalogues using BioPharmics’ ForceGen technology.

Watch this short video below for an overview of StarDrop’s enhanced virtual screening capabilities. And take a look at the virtual screening downloads section of our site to access prepared virtual screening collections for use in StarDrop.


Use 3D ligand-based design to comprehend binding conformations, thereby pinpointing and enhancing the potential of novel active compounds.