These trends are reflected in the quality of the RBFE correlations with experiment. All but Vanilla Glide poses resulted in a correctly predicted overall correlation (i.e. positive Kendal's τ and Spearman's ρ), with MCS and core-constrained Glide performing best in terms of overall correlation, AUE and RMSE. The larger variation in core positioning is reflected in higher overall errors for both Vina docking protocols (RMSE=1.7 kcal/mol for both Vina protocols c.f. 1.1 kcal/mol for MCS Glide). For Vanilla Glide, we hypothesize that the inconsistent positioning of the aryl fluoride ring is responsible for the larger errors observed in the RBFE correlations. All automated protocols are outperformed by the manually modelled poses (AUE and RMSD ranged between 0.9-1.4 kcal/mol and 1.1-1.7 kcal/mol c.f. 0.6 kcal/mol and 0.8 kcal/mol respectively for modelled poses), illustrating the importance of expert knowledge for this system, however only vanilla Glide fails to recover the experimental trend. In contrast, the Glide MCS protocol provided the best performance among the docking protocols with RMSE and AUE values of 1.1 kcal/mol and 0.9 kcal/mol.