| NAD | nicotinamide adenine dinucleotide |
| cNAD | Cyclic nicotinamide adenine dinucleotide |
| CD38 | cluster of differentiation 38 protein |
| ADPR | adenosine diphosphate ribose |
| cADPR | cyclic adenosine diphosphate ribose |
| CoMFA | Comparative Molecular Field Analysis |
| CASTp | Computer Atlas of Surface Topography of Proteins |
| AD4 | AutoDock 4 |
| SAR | Structure-activity relationship |
| SF | scoring function |
| PLP | piece-wise linear potential |
| GA | genetic algorithm |
| RMSD | root mean square deviation |
| MM/GBSA | Molecular mechanics generalized Born and surface area continuum solvation |
| QSAR | quantitative structure–activity relationship |
| D | Glutamic acid |
| K | Lysine |
| R | Arginine |
| W | Tryptophan |
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