Exploring the inhibitory potential of novel piperidine-derivatives against main protease (Mpro) of SARS-CoV-2 : A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis

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Détails bibliographiques
Publié dans:Journal of molecular liquids. - 1998. - 382(2023) vom: 15. Juli, Seite 121904
Auteur principal: Rafique, Amina (Auteur)
Autres auteurs: Muhammad, Shabbir, Iqbal, Javed, Al-Sehemi, Abdullah G, Alshahrani, Mohammad Y, Ayub, Khurshid, Gilani, Mazhar Amjad
Format: Article en ligne
Langue:English
Publié: 2023
Accès à la collection:Journal of molecular liquids
Sujets:Journal Article COVID-19 (6LU7) Molecular docking Molecular dynamics Piperidine inhibitors Quantum computational methods SARS-CoV-2