Skip to main content
. Author manuscript; available in PMC: 2023 Sep 1.
Published in final edited form as: J Biomol Struct Dyn. 2021 Mar 10;40(15):7099–7113. doi: 10.1080/07391102.2021.1894986

Table 3:

Results from protein-protein docking in HADDOCK and binding affinity predictions in PRODIGY.

Cluster Score (±) Z-Score Best Structure
Score		 PRODIGY Kd
Prediction
Adjuvant - TLR2 −76.7 (5.0) −1.4 −83.422 1.3E-07
Vaccine - TLR2 −84.6 (1.4) −1.7 −86.138 3.3E-08
Adjuvant - TLR4 −81.7 (2.9) −1.4 −85.447 2.6E-07
Vaccine - TLR4 −84.3 (2.3) −1.9 −87.720 2.2E-07

Note: The cluster score and Z-score are the aggregate scores for all proteins within the best cluster, while the best structure score is for the structure with the lowest HADDOCK score. The PRODIGY prediction is for the predicted best structure by HADDOCK score. TLR: toll-like receptor.