with CS (Figure ). Increasing the sampling from 100 poses to 1000 poses with the PLP scoring function increases the success rate by 2%. CPU times are very low when compared to AD and AC (Supporting information, Table ), especially when using the PLP scoring function, with which an average docking takes less than 2 min. The success rate of finding a "successful" pose among all poses is generally larger than 90%, suggesting a good sampling.