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. 2019 Oct 18;25(64):14659–14668. doi: 10.1002/chem.201903391

Figure 2.

Figure 2

A) Selected superimposed fragments from virtual screening into the DC‐SIGN/1 complex (PDB 2XR5). The red box highlights the ammonium‐binding site and the main residues that flank it. B) Selected newly designed compounds with general structure 5. Superimposed docked poses into the average structure of DC‐SIGN from MD simulations are shown.