Virtual Screening and Design

Virtual Screening and Design
 

Computationally-based virtual screening activities are also a valuable component of most of our screens for biological activity. Starting from a validated screen, we can match the molecular features of your hit set to large collections of commercially available compounds and procure them for assay (hit-expansion). Other templates or “seeds” for this in-silico screening include known inhibitors (template hopping) or crystallographic coordinates (structure-based virtual screening).