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A. Overlap of lowest MMGBSA docked pose of topotecan (TPT, green, ball and stick) with crystallographic TPT (cyan, ball and stick) in Top1/DNA complex. B. Lowest MMGBSA docked pose of TPT (green carbons) and FL118 (brown carbons) show analogous amino acid and base pair interactions. Heteroatoms are colored by normal conventions (red = oxygen, blue = nitrogen).
