Coronavirus: Update 2

27 Mar 2020

Automated ligand design experiments have been completed for SARS-CoV-2 Main Protease (Corona3C), and the first set of high scoring hits have been provided to a US based global pharmaceutical company for further analysis.

The top 1818 hits from all-atom Viper SMIRKS scanning and the top 1280 hits from Viper Fragment scanning were sent, collated from computations done using all available experimental crystal structures from the PDB.

Additional targets have been curated and annotated for Proasis.  The latest complete set is shown here

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