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. 2020 Oct 2;120(23):12788–12833. doi: 10.1021/acs.chemrev.0c00534

Figure 14.

Figure 14

Structure–activity patterns determined by FEP for ligands of the induced myeloid leukemia cell differentiation protein Mcl-1. Differences of binding free energies (ΔΔG) between pairs of compounds compare favorably with experimental data. Reproduced with permission from ref (121). Copyright 2015 American Chemical Society.