ACE2 with the top four scoring hits from our docking study. The four compounds were selected from the Enamine REAL library of approximately 1.4 billion synthesizable compounds. The top 10,000 hits from this docking study are freely available for download.
Summary: In an effort to help in the search to find potential therapeutics for COVID-19, OpenEye has completed multiple large-scale computational studies. The first dataset was released on April 27 (https://www.eyesopen.com/blog/openeye-deploys-the-orion-molecular-design-platform-to-find-covid-19-therapeutics). Here we publish a second such set of results and make them freely available to advance research toward a therapy.
SARS-CoV-2 Mpro protease with the top three scoring hits from our docking study. The three compounds were selected from the Enamine REAL library of approximately 1.4 billion synthesizable compounds. The top 10,000 hits from this docking study are freely available for download.
Summary: In an effort to quickly find potential therapeutics for COVID-19, OpenEye has completed multiple large-scale computational studies. Here we publish the first such set of results and make them freely available to advance research toward a therapy.
