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Prediction of LY2119620 binding modes using the four docking methods (green – crystal pose, purple – predicted pose). (A) Glide docking result. (B) Solvation scoring result. (C) QM/MM docking result. (D) Solvation QM/MM docking result. Heteroatoms are shown in yellow (S), red (O), blue (N), and dark green (Cl). Reproduced from Reference 43 with permission from the PCCP Owner Societies.
