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Guida Research Group - VCS

Virtual Counter Screening

Virtual counter screening (also referred to as "inverse docking" or "reverse screening") is a relatively new technology made possible with the growing number of protein-ligand structures. Myriad attempts of utilizing this vast source of coordinate data include drug repositioning, prediction of toxicity and metabolism, and narrowing of focused libraries. Wesley H. Brooks (Highthrougput Screening Core, Moffitt Cancer Center & Research Institute) applies statistics of calibration set that has been docked to every structure in our protein library to produce "protein hits." This "normalization" produces a robust comparison across different ligands as well as (more importantly) across various protein active sites which allows an approach to the aforementioned issues.