Using this setup, we computed the koff value (and residence time, by extension) for the JAK inhibitor (Figure ) in four separate SEEKR runs (with the same settings and starting structures for each anchor), yielding an average koff of 4.6±0.1 ⨉ 10 -5 s -1 , or a residence time of 6.3±0.1 hours. The SEEKR-computed residence time is remarkably similar to the experimental residence time of 6.65 hours for this system. The residence time computed with SEEKR and reported *11 here is the average of four separate runs from the same starting structures. The results of the individual runs, as well as an examination of calculation sensitivity to different procedures used to compute the starting structures can be found in the SI.