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Minimum LGFE conformations of Ligand MCL1-Fletcher-32 after A) Exhaustive rLP = 1 Å B) Exhaustive rLP = 10 Å with the GAH18 ACS. FragMaps at contours GFExyz = −1.2 kcal/mol for GENN (green), ACEC (orange), MEOO (red), GENA (blue), GEND (magenta). The ligand atoms attached to the sulfone nitrogen are not shown for clarity and the location of Arginine 263 in MCL1 is shown.
