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. 2013 Oct 6;4(12):1178–1182. doi: 10.1021/ml4002908

Figure 2.

Figure 2

Docked poses of compounds 2a–c into the TcAChE binding site (key residues are represented by lines) obtained using IFD protocol: (A) 2a (blue sticks, blue surface for protein, glide XP score: −19.603 kcal/mol); (B) 2b (orange sticks, yellow surface for protein, glide XP score: −20.561 kcal/mol); (C) 2c (cyan sticks, green surface for protein, glide XP score: −21.143 kcal/mol). H-bonds were reported as gray dotted lines. Nonpolar hydrogens were omitted for clarity. The picture was generated by PyMOL.