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. 2020 Feb 7;5(6):2978–2986. doi: 10.1021/acsomega.9b03908

Figure 1.

Figure 1

Percentage of simulation frames in which dendrimers are found complexed (DP–DP or DM–DM) or free in solution (A). The last 50 ns of all replicas for each dendrimer type were considered as an ensemble trajectory. DP has demonstrated a greater self-aggregation behavior, as it occurs in 70% of the frames; in contrast, DM has exhibited lower attitude to self-aggregate, which occurs in only 30% of the frames. Picture (B) shows the BS between homologous DMs and DPs. In this chart, the hydrophobic variation between the 2DP and 2DM systems is emphasized, which may be the driving force of DP tighter self-assembly.