Molecular Recognition of SARS-CoV-2 Mpro Inhibitors: Insights from Cheminformatics and Quantum Chemistry Article (Web of Science)

Open Access

cited authors

  • Olosunde, Adedapo; Hu, Xiche

publication date

  • May 15, 2025

webpage

published in

category

keywords

  • CH-pi interactions
  • SARS-CoV-2 main protease (Mpro)
  • covalent and non-covalent inhibitors
  • hydrogen bonding
  • molecular recognition
  • pi-pi stacking interactions
  • quantum mechanics
  • rational drug design

volume

  • 30

issue

  • 10