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AI-driven Drug Discovery Strategies To Fight COVID-19

News   Apr 23, 2020 | Original story from University of Texas at Austin, Texas Advanced Computing Center

 
AI-driven Drug Discovery Strategies To Fight COVID-19

AI-driven MD simulations provide insights into how different ligands modulate the binding region of the viral ADP-ribose-1?-phosphatase protein. Ligands are shown in stick like representation and the protein is shown as a cartoon ensemble. Note that each ligand has an effect on distinct regions of the protein. Credit: Argonne National Laboratory

 
 
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