May 28, 2020 · Further, molecular dynamics simulations highlight the stability of the interaction of the α-ketoamide 13b ligand with the SARS-CoV-2 Mpro (ΔG = ...

Here, we performed molecular docking and molecular dynamics simulations to further characterize the interaction of α-ketoamide 13b with the active site of the ...

Aug 8, 2024 · Here, we performed molecular docking and molecular dynamics simulations to further characterize the interaction of α-ketoamide 13b with the ...

Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the ...

Further, molecular dynamics simulations highlight the stability of the interaction of the α ... Sterenin M as a potential inhibitor of SARS-CoV-2 main protease ...

Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the ...

Oct 11, 2021 · A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2.

Proposed two-step reaction mechanism between the active site of SARS-CoV Mpro with α- ketoamide inhibitor-warhead from the Re face to generate R-thiohemiketal ...

An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study · List of references · Publications ...

Virtual screening, drug-likeness analysis, and molecular docking study of potential severe acute respiratory syndrome coronavirus 2 main protease inhibitors.