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. 2024 Jul 3;14(29):21035–21046. doi: 10.1039/d4ra03222e

Fig. 3. Radial distribution functions g(r) in arbitrary units vs. distance in Angstroms for the PRWG-C18H37 systems computed using the last 100 ns of a 600 ns of simulation calculation. It shows the micelle structure with p-nitrobenzaldehyde identified as PHA (reactant), l-prolinamide-enamine as ENP (reactant), proline as PRO, arginine as ARG, tryptophan as TRP, glycine as GLY, alkyl chain as ALK and, water as WAT. The origin of the curve is defined as the positions of the first (C1) carbon of the alkyl chains. Up/bottom (A/B) panels represent two different initial conditions used (details in text).

Fig. 3