Fig 1.
Eight Aβ42 monomers and eight SST14 molecules in water after equilibration (A), and the aggregates formed after 500 ns of MD simulation for system Aβ42-SST14-I (B). Eight Aβ42 monomers and eight AVP molecules in water after equilibration (C), and the octamer formed after 500 ns of MD simulation for system Aβ42-AVP-II (D). Eight Aβ40 monomers and SST14 molecules in water after equilibration (E), and the heptamer formed after 500 ns of MD simulation for system Aβ40-SST14-II (F). Aβ42 and Aβ40 chains are colored cyan, SST14 and AVP molecules are colored red. The C-termini of the Aβ42 chains are indicated by blue spheres and those of Aβ40 chains are shown as green spheres. The N-termini of Aβ42 and Aβ40 chains are indicated by yellow spheres.