The energy landscape of Aβ<sub>42</sub>: a funnel to disorder for the monomer becomes a folding funnel for self-assembly
Moritz Schäffler, David J. Wales, Birgit Strodel
Abstract
peptide, the landscape becomes a folding funnel, leading to a β-hairpin state. Using first passage time analysis, we analyse the pathway for the transition from disordered to the β-hairpin state, which highlights the initial formation of a D23-K28 salt bridge as the driving force, together with hydrophobic contacts.
Topics & Concepts
FunnelEnergy landscapeFolding (DSP implementation)Funnel ChestMonomerSelf-assemblyChemical physicsMaterials scienceChemistryCrystallographyNanotechnologyPhysicsThermodynamicsEngineeringOrganic chemistryMedicineSurgeryPolymerElectrical engineeringAlzheimer's disease research and treatmentsProtein Structure and DynamicsEnzyme Structure and Function