Figure 2.

Self‐assembly mechanism of Fmoc‐FuF revealed by microsecond‐long CG‐MD simulations of 200, 400, and 600 molecules. a) Snapshots of aggregates at four timepoints. The CG representation of an Fmoc‐FuF molecule is shown for clarity. b) Time evolution of the SASA fraction of fluorenyl, phenyl, and main chain groups. c–k) The FEL of worm‐like and branched gel‐like assemblies as a function of the centroid distance and the angle between the two aromatic rings in three different ring pairs. The basins are marked by arrows. l–n) Stacking patterns of fluorenyl–fluorenyl, fluorenyl–phenyl, and phenyl–phenyl ring pairs.