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. 2022 Jan 12;7(3):2706–2717. doi: 10.1021/acsomega.1c05203

Figure 5.

Figure 5

Interaction poses for averaged structures for all of the simulated drug–target complexes for (A–D) MAP2k and (E–H) TGFβ. It can be observed that the interacting partners for the predicted compounds are similar to the ones for the known inhibitors. Also, interactions and their interacting residues are annotated.