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

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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Bibliographische Detailangaben
Veröffentlicht in:Journal of molecular liquids. - 1998. - 382(2023) vom: 15. Juli, Seite 121904
1. Verfasser: Rafique, Amina (VerfasserIn)
Weitere Verfasser: Muhammad, Shabbir, Iqbal, Javed, Al-Sehemi, Abdullah G, Alshahrani, Mohammad Y, Ayub, Khurshid, Gilani, Mazhar Amjad
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of molecular liquids
Schlagworte:Journal Article COVID-19 (6LU7) Molecular docking Molecular dynamics Piperidine inhibitors Quantum computational methods SARS-CoV-2
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