Hierarchical processes in<italic>β</italic>-sheet peptide self-assembly from the microscopic to the mesoscopic level

Hierarchical processes inβ-sheet peptide self-assembly from the microscopic to the mesoscopic level

Deng Li, Xu Hai^†,

Free energy landscapes for IIIIKK and KIIIIK were calculated by all atomistic replica exchange molecular dynamics simulation. TheXaxis is the contact degreeg₁₂between peptide1 and peptide2 and theYaxis is the contact degreeg₂₃between peptide2 and peptide3, where the peptides in the trimer have been reordered.^[36]