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. Author manuscript; available in PMC: 2019 Apr 1.
Published in final edited form as: J Chem Inf Model. 2018 Aug 22;58(9):1889–1901. doi: 10.1021/acs.jcim.8b00120

Figure 4.

Figure 4.

Percentage contribution to the total ΔG made by each monosaccharide in each ligand. The calculations were performed using three different desolvation models: (A) GBHCT, (B) GB1OBC, and (C) GB2OBC. In each ligand the Gal or GalNAc residue contributes the most to the total affinity.