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. 2011 Nov 17;51(12):3180–3198. doi: 10.1021/ci200319e

Figure 7.

Figure 7

Binding affinities and Scorpion scores for the neuraminidase pair (index 1 in data set IV, PDB codes 1nnb, 1nnc), differing in a hydroxyl vs guanidino substituent. Top: hydrogen bonding network up to path length 4 in which the guanidino moiety is involved.