Fig. 15
From: Application of molecular dynamics simulation in self-assembled cancer nanomedicine
a MD simulation of PD-NP process II, and translucent green labeling of DOX molecular surface. b Structure diagram of whole atomic MD simulation results of PD-NP, in which the aromatic part of DOX is shown in light purple. Reproduced with permission from Ref [202]. c TAPP-GCP@TCPP Preparation of NPs, TAPP-GCP and TCPP molecules under MD simulation, and mechanism diagram of NPs phototherapy-induced immunotherapy. Reproduced with permission from Ref [201]