共 50 条
- [2] Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (07): : 3296 - 3311
- [3] Identification of Natural Inhibitors Against SARS-CoV-2 Drugable Targets Using Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Approach FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2021, 11
- [4] Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation PHYSICAL CHEMISTRY RESEARCH, 2023, 11 (02): : 369 - 389
- [5] Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (06): : 2757 - 2768
- [7] Prevention of SARS-CoV-2 Proliferation with a Novel and Potent Main Protease Inhibitor by Docking, ADMET, MM-PBSA, and Molecular Dynamics Simulation JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, 2021, 20 (03): : 305 - 322
- [8] Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (01): : 361 - 374
- [10] Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (15): : 6755 - 6770