Upon docking 10,000 compounds of the training set with Surflex, every compound yields 30 poses in the active pocket of the target (1W51), and no solution was found on the outside of the active pocket. After docking, we used five scoring functions to extract the pose and twelve scoring functions to rank the extracted poses resulting in 60 different scoring combinations. The top 1% of the ranked database was set as the threshold value, that is, the evaluation of the effectiveness of the scoring protocols involved numbering the actives for the top 100 candidates. The enrichment rates of the scoring protocols are presented in Table 1 .