Fig. 10
From: Application of molecular dynamics simulation in self-assembled cancer nanomedicine
a Snapshots of MD simulations of three drugs with CD, PTX, Polymer. Reproduced with permission from Ref. [151] b Self-assembly of SAHA-SS-VE drug under MD simulation and its molecular interaction. SAHA-SS-VE molecule was indicated by gray ball-andstick model: red (O), blue (N), and yellow (s). c The electrostatic potential map of SAHA-SS-VE: red (electron enrichment region), blue (electron deficient region). Reproduced with permission from Ref. [153]