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. 2021 Jun 25;419:126463. doi: 10.1016/j.jhazmat.2021.126463

Fig. 8.

Fig. 8

Three-dimensional surface-ligand coupling of interactions between peptides (A) PSPD2002 and (B) PSPD-2003 and the enzyme acetylcholinesterase, all in surface mode and highlighted active site. Interaction residues in “A” (AChE-PSPD2002): P256; Q386*; R313**; W549 (affinity (kcal / mol) = −9.4). In “B” (AChE-PSPD2003): K434; N550; R551; V543; Y430; Y520 (affinity (kcal / mol) = −8.4). An "asterisk" indicates two interactions in the same residue. Two "asterics" indicate the existence of three interactions in the same residue.