Structure-based virtual screening and functional validation of potential hit molecules targeting the sars-cov-2 main protease

HIGHLIGHTS

• who: Balasubramanian Moovarkumudalvan et al. from the Division of Genomics and Translational Biomedicine, College of Health and Life, Hamad Bin Khalifa University, Education City, Doha POBox, London EC M BQ, UK have published the research: Structure-Based Virtual Screening and Functional Validation of Potential Hit Molecules Targeting the SARS-CoV-2 Main Protease, in the Journal: Biomolecules 2022, 1754 of 10/Nov/2022
• what: In this study, the SMILES data of candidate hit molecules and the Mpro protein sequence were provided as input to the DeepPurpose tool. The aim of the study is to repurpose . . .
  

   

  

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