Re-docking the benchmark sets with AC and the switch algorithm generally gave particularly high success rates, 81% for CSKDE95 and 79% for CS244 when looking at the best pose (RMSD ≤ 2 Å), with optimal sampling parameters (Figure ). The success rate increase when using 8 RIC instead of 6 is not significant (Supporting information, Table ), which shows that 6 RIC already ensures a reasonable sampling. Using a rotational angle of 60°i nstead of 90°does not improve the results, while the computational time is about four times higher (Table ). It even seems to lead slightly worse results (by 2%), which might be attributed to failures of the scoring function. Therefore, the combination of 8 RIC and a rotational angle of 90°provides a qualitative sampling for a reasonable computational time.