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. 2020 Oct 14;199:105865. doi: 10.1016/j.clay.2020.105865

Fig. 1.

Fig. 1

Molecular structure of the target segment/protein-fragment 350–370 of HCV glycoprotein E1: (a) experimental structure (Beeck et al., 2000); (b) Model protein-fragment neutralized by chloride anion and optimized with CVFFH; and (c) protein-fragment within a box of an aqueous medium of 626 water molecules optimized.