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. 2021 Dec 23;9:808864. doi: 10.3389/fcell.2021.808864

FIGURE 6.

FIGURE 6

The mainly distinct residue contributions to the binding affinities of lorlatinib/gilteritinib to both the wild-type and double mutant predicted by the MM-GBSA binding free energy decomposition. The error bars represent standard deviations of per-residue energetic contribution.