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. 2023 Jan 31;8(6):5377–5392. doi: 10.1021/acsomega.2c06451

Figure 10.

Figure 10

Dynamics stability investigation of ligands inside the binding cavity of enzymes over 140 ns simulation time for the following complexes: COX2-NSAID_2, COX2-sidechain_3, COX2-POX_5, TACE_2; TNF-α_4, iNOS_3; and IKK_3.