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Update index.md
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n-kosarim authored Apr 24, 2024
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Expand Up @@ -28,9 +28,9 @@ Perform protein-ligand docking.

1. Save protein and ligand PDB structures into different files (if need).
2. Configure docking parameters.
3. Perform protein-ligand docking via AutoDock Vina.
4. Calculate RMSDs for all conformations.
5. Compare results and visualize the best conformation.
3. Perform protein-ligand docking via AutoDock Vina and SwissDock.
4. Compare results, visualize best ligand conformations for every method and initial PDB.
5. Calculate RMSDs for best conformations obtained with AutoDock Vina and SwissDock comparing with initial ligand PDB structure.

### Suggested problem sets
Each student should take a unique PDB structure at his/her own discretion.
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