TamifluH forms H-bond interactions with Arg156, Arg293 and Arg368, but not with Asp151 or Glu228 ( Figure 3D ). Both Asp151 and Glu228 have been reported as one of the major residues in the N1 ligand binding site [98, 99] . The ability of the de novo derivatives to form interactions with both Asp151 and Glu228 may account for the higher DockScores.