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Drug repurposing for SARS-CoV-2 : a multi-modal computational study

Submitted by Dibakar Datta on

  

   Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study   

   By J. Kashyap and D. Datta

   Part of special issue on 'Computational Materials Design' in Journal of Materials Science 

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