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Figure 9
The different processes identified to play a role in the change in FimH affinity for binding (a) HM and (b) BF upon mutation of one of the tyrosine-gate residues. Both the results from the ITC measurements (Table 3[link]) and from the molecular simulation (MD and QM; see §§3.5–3.8[link][link][link][link]) are summarized.

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