Fig. 2: Interaction modes between polymer and compound revealed by Langevin dynamics simulation in an aqueous environment. | Cell Death & Disease

Fig. 2: Interaction modes between polymer and compound revealed by Langevin dynamics simulation in an aqueous environment.

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

Fig. 2

a The initial conformation of the polymer MPEG-PCL complexed with the αM; Conformations b, c, d, e, and f are corresponding to snapshots of the complex collected at 9.985 ps, 15.995 ps, 20.020 ps, 29.945 ps, and 100 ps, respectively. The polymer MPEG-PCL is represented with thick stick, whereas the αM is depicted with ball and stick style and its carbon atoms are colored with green. Two terminal heavy atoms in the polymer MPEG-PCL is highlighted using a “ball” style, and the head heavy atom in the αM are highlighted using CPK style

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