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A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation.

Ahmed RakibZulkar NainSaad Ahmed SamiShafi MahmudAshiqul IslamShahriar AhmedAdnan Bin Faisul SiddiquiS. M. Omar Faruque BabuPayar HossainAsif ShahriarFirzan NainuTalha Bin EmranJesus Simal-Gandara
Published in: Briefings Bioinform. (2021)
Keyphrases
  • drug discovery
  • drug design
  • molecular structure
  • quantitative structure activity
  • three dimensional
  • learning algorithm
  • computer simulation
  • hiv protease
  • machine learning
  • biological data