. 2019 Aug 26;59(9):4007–4017. doi: 10.1021/acs.jcim.9b00605

Table 1. Summary of Computed Unbinding Times for Etoposide from Two Topoisomerase Isoforms^a.

	TopoIIα		TopoIIβ
	Site1	Site2	Site1	Site2
Avg. unbinding time [t_r± σ_e (ns)]	75.4 ± 7.6	98.8 ± 8.6	34.0 ± 2.7	64.6 ± 7.0
Avg. unbinding time over both sites [t_r± σ_e (ns)]	87.1 ± 8.1	87.1 ± 8.1	49.3 ± 4.8	49.3 ± 4.8
Total smulation time (μs)	2.6	3.3	1.25	2.1

Computational unbinding (dissociation) times averaged over replicas are reported in nanoseconds. The unbinding times are shown together with the standard error of mean over a sample size of 32 simulations (of several tens of ns) for both Site1 and Site2 in both TopoII isoforms.

Table 1. Summary of Computed Unbinding Times for Etoposide from Two Topoisomerase Isoformsa.

Table 1. Summary of Computed Unbinding Times for Etoposide from Two Topoisomerase Isoforms^a.