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. 2022 Feb 1;25(2):103852. doi: 10.1016/j.isci.2022.103852

Figure 4.

Figure 4

Energetic and entropic contributions to the free energy

(A–C)Spatial profile of the average energetic contributions per sticker arising from (A) associative specific bonds, (B) stretchable linker bonds, and (C) repulsive interactions between like stickers are shown for varying component stoichiometry, ranging from 1 (blue) to 1.32 (yellow). The energetic contributions were calculated from molecular-dynamics simulations, using (Equation 1), (Equation 2), (Equation 3).

(D) Profile of total energetic contribution per sticker, corresponding to the sum of specific, linker, and repulsive energies as a function of position.

(E) Energetic (blue) and entropic (red) contributions to the total excess free energy (black) of the interface per unit area at different component stoichiometries. Error bars represent standard deviations across 10 simulation replicates.

(F) As in (E), but as functions of the number of excess unbound stickers per area in the interface region. For details see STAR Methods