Tipping the Scale from Disorder to Alpha-helix: Folding of Amphiphilic Peptides in the Presence of Macroscopic and Molecular Interfaces

Fig 5

Time evolution of secondary structure of a single AK (in-silico mutated form of LK) peptide at the vacuum/water interface.

Initially the peptide is submerged in bulk water and moves to the interface in 80 ns and remains there for the rest of the simulation.