| 1 |
33047658 | Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2. | 2022 Mar |
1 |
| 2 |
33400086 | COVID-19: inflammatory responses, structure-based drug design and potential therapeutics. | 2022 Feb |
1 |
| 3 |
35282759 | Perspectives on the design and discovery of α-ketoamide inhibitors for the treatment of novel coronavirus: where do we stand and where do we go? | 2022 Mar 20 |
2 |
| 4 |
35477751 | An orally available Mpro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. | 2022 May |
1 |
| 5 |
32396767 | Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations. | 2021 Jul |
1 |
| 6 |
33711090 | Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease. | 2021 Mar 21 |
2 |
| 7 |
33755450 | Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography. | 2021 Apr 22 |
2 |
| 8 |
33847241 | Inhibition of SARS-CoV-2 main protease: a repurposing study that targets the dimer interface of the protein. | 2021 Apr 13 |
2 |
| 9 |
34029506 | Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations. | 2021 May 24 |
1 |
| 10 |
34149065 | COVID-19: In silico identification of potent α-ketoamide inhibitors targeting the main protease of the SARS-CoV-2. | 2021 Nov 15 |
1 |
| 11 |
32198291 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. | 2020 Apr 24 |
1 |
| 12 |
32485652 | Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex. | 2020 May 28 |
2 |
| 13 |
32511291 | Structural Similarity of SARS-CoV2 Mpro and HCV NS3/4A Proteases Suggests New Approaches for Identifying Existing Drugs Useful as COVID-19 Therapeutics. | 2020 Apr 21 |
2 |
| 14 |
32561274 | In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing. | 2020 Sep |
1 |
| 15 |
32658489 | Michael Acceptors Tuned by the Pivotal Aromaticity of Histidine to Block COVID-19 Activity. | 2020 Aug 6 |
1 |
| 16 |
32911432 | Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface. | 2020 Dec |
1 |
| 17 |
32920239 | Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach. | 2020 Dec |
1 |
| 18 |
33137690 | Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay. | 2020 Dec |
1 |
| 19 |
33205654 | Exploring the Mechanism of Covalent Inhibition: Simulating the Binding Free Energy of α-Ketoamide Inhibitors of the Main Protease of SARS-CoV-2. | 2020 Dec 8 |
1 |