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Number of atoms in each aptamer, Vina docking score, and Root Mean Square (RMS) value of each docked aptamer before and after docking on HBsAg. The RMS value of each aptamer was determined by aligning before and after docking structure using PyMOL.
| No. | Aptamer name | No. of atoms | RMS of initial and after docking structures | Vina score (kJ/mol) |
|---|---|---|---|---|
| 1 | H01a | 222 | 6.978 | -27.196 |
| 2 | H01b | 254 | 8.944 | -31.798 |
| 3 | H02a | 254 | 8.006 | -24.686 |
| 4 | H02b | 256 | 6.549 | -24.686 |
| 5 | H03a | 255 | 6.133 | -22.175 |
