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. 2022 May 16;17:2203–2224. doi: 10.2147/IJN.S348559

Figure 3.

Figure 3

In silico modeling of two possible combination of PCL-PEG co-polymer chain PEG-PCL-PEG-PCL-PEG and PCL-PEG-PCL-PEG-PCL using Molecular Dynamics (MD) simulation. (A and C) Root means square deviation (RMSD) graph of total simulation time of 150 ns at 50°C, 20°C and 37°C for 50 ns each. (B and D) Representation of simulation of PCL-PEG molecules (ball chain) in cubic box with water molecules (mesh) at 50°C, 20°C, and 37°C (isolated final stable micelle formed from ~20 polymer molecules.