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. 2016 Nov 11;11:6003–6022. doi: 10.2147/IJN.S118727

Figure 4.

Figure 4

(A) Molecular dynamics simulations of the self-assembly of SAHA-S-S-VE molecules in water after 20 ns. SAHA-S-S-VE molecule was indicated by gray ball-and-stick model: red (O), blue (N), and yellow (S). (B) Interactions in tetrameric SAHA-S-S-VE. (C) The electrostatic potential map of SAHA-S-S-VE: red (electron enrichment region), blue (electron deficient region).