Docking-Affinity-Plotter

Docking Affinity Plotter: Visualize and analyze binding affinity data from molecular docking experiments. This desktop GUI tool allows researchers to load docking results, generate insightful plots, and create a PDF report.

Features
✅ CSV File Loading: Accepts docking results with ligand names, binding affinity, RMSD upper bound (rmsd/ub), and RMSD lower bound (rmsd/lb).
✅ Binding affinity distribution
✅ Density plot of binding affinity
✅ Box plot of binding affinity
✅ RMSD distribution (ub & lb)
✅ 3D scatter plot: Binding affinity vs RMSD
✅ Scatter plots: Affinity vs RMSD ub/lb
✅ Pairwise relationships among affinity and RMSD values
✅ Top 10 ligands by minimum binding affinity
✅ Top 3 recommended ligands
✅ Statistical analysis

Citation
If you use Docking Affinity Plotter in your research, please cite it as:

Md. Ismiel Hossen, A. (2026). Docking Affinity Plotter: Visualize and Analyze Binding Affinity Data (v1.0). Zenodo. https://doi.org/10.5281/zenodo.18340175