iDock - Docking Simulation
How to Use
1
Prepare Structure Files
Prepare the following files:
- Protein Structure: PDB format file (.pdb) of the olfactory receptor protein
- Ligand Structure: SDF format file (.sdf) of the small molecule ligand
Ensure the files are correctly formatted and contain valid structural information.
2
Upload Files
Click the "Browse" buttons to select your PDB and SDF files from your computer.
Maximum file size: 20MB each
3
Run Docking Simulation
Click the "Start Docking" button to begin the molecular docking process.
Our simulation will predict the binding pose and affinity between the protein and ligand.
4
View Results
Once the simulation is complete, the results will be displayed below.
The results include binding affinity, binding pose visualization, and affinity distribution.