Table 7. Blind Docking Results for the Interaction of [VIV(L1–4)2] with Bovine Serum Albumin.
| complex | region | Fmaxa | Fmeanb | interactions | popc |
|---|---|---|---|---|---|
| [VIV(L1)2] | IIA/IIIA | 20.8 | 17.9 | NH3+–Lys294···NN; OH–Tyr451···NN’ | 43 |
| [VIV(L2)2] | IIB/IIIA | 24.5 | 20.3 | NH3+–Lys413···NN | 67 |
| [VIV(L3)2] | IIA/IIIA | 23.2 | 20.6 | NH3+–Lys294···NN | 63 |
| [VIV(L4)2] | IIA/IIIA | 19.4 | 14.7 | NH2–Arg217···NN | 17 |
a
Fitness value for the most stable pose of each cluster (Fmax).
b
Mean Fitness value of the GoldScore scoring function for each cluster (Fmean).
c
Number of solutions in the identified cluster.