Table 3.
Results on docking simulation experiments of CDR regions and VEGF nanobody.
| E. Total (kcal/mol) | E. Shape | E. Air | Bmp (Bit maps) | Rms (Root mean square) | |
|---|---|---|---|---|---|
| Nb | −342/15 | −342/15 | 0 | −1 | −1 |
| CDR3 | −274/23 | −274/23 | 0 | −1 | −1 |
| CDR2 | −167/2 | −167/2 | 0 | −1 | −1 |
| CDR1 | −148/0 | −148/0 | 0 | −1 | −1 |
| CDR1,2 | −160/5 | −160/5 | 0 | −1 | −1 |
| CDR1,3 | −144/8 | −144/8 | 0 | −1 | −1 |
| CDR2,3 | −162/1 | −162/1 | 0 | −1 | −1 |
‘E. Total’ highlights the binding energy of a nanobody and its CDR3 region. The energy related to the CDR3 region is closest to that of the complete nanobody structure, as compared to other CDR regions.