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| Microsecond molecular dynamics simulations revealed the inhibitory potency of amiloride analogs against SARS-CoV-2 E viroporin |
| Abdullah All Jaber, Zeshan Mahmud Chowdhury, Arittra Bhattacharjee, Muntahi Mourin, Chaman Ara Keya, Zaied Ahmed Bhuyan |
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Genomics Inform. 2021;19(4):e48 Published online December 31, 2021 DOI: https://doi.org/10.5808/gi.21040 |
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Microsecond molecular dynamics simulations revealed the inhibitory potency of amiloride analogs against SARS-CoV-2 E viroporin Genomics & Informatics. 2021;19(4):e48  Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations Scientific Reports. 2017;7(1): The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation Biomedicines. 2022;10(8):1787 Lipid-Dependent Alternating Access Mechanism in ABC Exporters Revealed using Microsecond-Level Molecular Dynamics Simulations Biophysical Journal. 2018;114(3):148a Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor Frontiers in Chemistry. 2021;9: Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy Estimations . 2020; Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy Estimations . 2020; How Does Arbidol Inhibit the Novel Coronavirus SARS-CoV-2? Atomistic Insights from Molecular Dynamics Simulations . 2020; Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies . 2020; How Does Arbidol Inhibit the Novel Coronavirus SARS-CoV-2? Atomistic Insights from Molecular Dynamics Simulations . 2020; |
