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Original Research

Published on 01 Sep 2023

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease

in Molecular Diagnostics and Therapeutics

  • Emmanuel Israel Edache
  • Adamu Uzairu
  • Paul Andrew Mamza
  • Gideon Adamu Shallangwa
  • Fatma Hilal Yagin
  • Nagwan Abdel Samee
  • Noha F. Mahmoud
Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1254230
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  • 2 citations