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).