Tipping the Scale from Disorder to Alpha-helix: Folding of Amphiphilic Peptides in the Presence of Macroscopic and Molecular Interfaces
Fig 6
Folding and association of a pair of LK (left) and EALA (right) peptides in bulk water.
Snapshots illustrating the aggregation process (A and B), DSSP secondary structure analysis (C and D), SASA, short range Coulombic interaction energies between the charged groups and the number of intra and inter-peptide backbone hydrogen bonds (E and F) are displayed as a function of simulation time. Association of peptides take place at 180 ns for LK and 300 ns for EALA, which can be observed via the sharp drop in SASA.