| A3AR | A3 Adenosine receptor |
| FEP | Free energy perturbation |
| GPCR | G protein-coupled receptor |
| MD | Molecular dynamics |
| POPC | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine |
| SAR | Structure-activity relationships |
| TI | Thermodynamic integration |
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