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. Author manuscript; available in PMC: 2022 Aug 1.
Published in final edited form as: Mol Cancer Ther. 2021 Dec 14;21(2):336–346. doi: 10.1158/1535-7163.MCT-21-0395

Table 2.

Number of docks with binding energy greater than the median binding energy for wildtype kinase per inhibitor.

Entrectinib Crizotinib Lorlatinib Repotrectinib
Wildtype DFG-in 589 of 1120 484 of 1118 864 of 1120 700 of 1120
Wildtype DFG-out 532 of 1188 1116 of 2078 716 of 2080 900 of 2080
F2004C DFG-in 209 of 638 292 of 638 459 of 640 426 of 640
F2004C DFG-out 90 of 640 180 of 478 122 of 480 138 of 480