| CP | Coordination Polymer |
| HU | Hydroxyurea (Drug) |
| MD | Molecular Dynamics |
| CD | Circular dichroism |
| IMP | Inosine monophosphate |
| bpe | 1,2-bis(4-pyridine)ethylene |
| azpy | 4,4′-azopyridine |
| XRD | X-ray diffraction |
| PXRD | Powder X-ray diffraction |
| U | Potential energy |
| K | Kinetic energy |
| SASA | Solvent-accessible surface area |
| Rg | Radius of gyration |
| H | Enthalpy |
| RMSD | Root mean square deviation |
| FTIR | Fourier transform infrared spectroscopy |
| UV–vis | UV–visible |
| FEP | Free Energy Perturbation |
| MM | Molecular Mechanics |
| PBSA | Poisson–Boltzmann Surface Area |
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