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Representative molecular dynamics simulation snapshots of (A) compound 6 with galectin-9C (aryl-His233 stacking is indicated with a dashed orange line), (B) compound 18 with galectin-9C, (C) compound 6 with galectin-9N, and (D) compound 18 with galectin-9N (aryl-Arg77 and Trp82 interactions are indicated with dashed orange lines).
