In Silico Prediction of the Binding, Folding, Insertion, and Overall Stability of Membrane-Active Peptides

Towards de novo design of transmembrane α-helical assemblies using structural modelling and molecular dynamics simulation

“…As an alternative approach, splitting folding events will help to understand the folding mechanisms. 62 The first process of membrane peptide assembly is the binding of peptides from the aqueous phase to the membrane surface. In recent studies, the binding mechanisms of amphipathic peptides, such as a membrane fusion peptide from the SARS-CoV2 spike protein, 63 amphipathic lipid packing sensor peptide, 64 and influenza haemagglutinin fusion peptide, 65 have been analysed using the highly mobile membrane mimetic (HMMM) model.…”

“…As an alternative approach, splitting folding events will help to understand the folding mechanisms. 62…”