In order to provide a visual representation of the sampling variation discussed above, we have calculated the contact frequency distributions for individual replicas (refer to section 3 for details). ) which all convey the same message as above. In order to derive robust insights, it is essential that we quantify the extent of variability between the long replicas so as to determine their reproducibility. To achieve this, we compute pairwise Kolmogorov-Smirnov (KS) test statistics for each pair of the long replicas. The pairwise KS statistic has a range of 0 to 1, where 0 indicates that the two sample distributions being compared are sampled from an identical underlying distribution, and 1 indicates the converse case. We calculated pairwise KS statistics for 45 possible pairs of replica trajectories for the ADRP-Tofacitinib complex. The resultant values fall between a wide range of 0.11 to 0.54. However, 40 of them are ≥ 0.15 and 37 are ≥ 0.2. The mean value of the KS statistic for all 45 pairs is 0.26. We also obtained corresponding p-values from pairwise KS statistics.