Fig. 4. Final snapshot of a MD for simulation A. The aggregate alkyl residues are shown using a surface representation in ochre. The amino acid residues and p-nitrobenzaldehyde are shown using a licorice representation. p-Nitrobenzaldehyde molecules within 4 Å from l-prolinamine-enamine molecules are shown in red while other P-nitrobenzaldehyde are shown in white. Water molecules are shown using a translucid representation in blue.
