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Figure 1
The QM system (S1 in Fig. 3[link]) used in the ComQum-U calculations for galectin-3. All atoms involved in the QM calculation are shown as sticks, while the rest of the protein is shown as a cartoon and the remaining water molecules are hidden. Lactose is shown with yellow C atoms, whereas the protein residues are shown with grey C atoms.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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