| Sr no. | In-silico tools | Operating system/hardware |
|---|---|---|
| 1 | Schrodinger (Glide and QuickPro module on HP Z2 TOWER workstation (8-core processor) | Linux Ubuntu Enterprise Version 20.4 |
| 2 | VEGFR-2 (crystal structure) PDB ID: 4AGD | RCSB PDB |
| 3 | Prime MM-GBSA approach, the binding free energies, and MD simulation | Academic Desmond |
| 4 | Density functional theory (DFT) | Jaguar module of Schrödinger |
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