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. 2017 Aug 8;57(9):2203–2221. doi: 10.1021/acs.jcim.7b00347

Table 1. Summary of the Four Test Cases Considered in This Studya.

Test Case No. No. Ligands No. Proteins No. Complexes Starting Structures Simulations length
1a 11 1 11 X-ray 10 ns
1b 11 1 11 Docking 10 ns
2 2 7 14 Docking 15 ns
3 1 22 22 Docking 15 ns
a

Table S1 provides more detailed information on the systems studied.