Fig. 3: Interaction modes between polymer and compound revealed by Langevin dynamics simulation in water and tumor environment. | Cell Death & Disease

Fig. 3: Interaction modes between polymer and compound revealed by Langevin dynamics simulation in water and tumor environment.

From: Applying an innovative biodegradable self-assembly nanomicelles to deliver α-mangostin for improving anti-melanoma activity

Fig. 3

The demonstration style is the same as in Fig. 2. a The conformation of the polymer MPEG-PCL complexed with the αM after being simulated in water environment for 200 ps; b The conformation of the polymer MPEG-PCL complexed with the αM after being simulated in water environment for 100 ps and then in tumor environment for 100 ps; c and d are corresponding to a and b, but the binding site is highlighted with solid surface and colored light yellow

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