Fig. 2.
Molecular modeling of stabilization of α-helical Aβ by ligands. Representations of the conformation of the Aβ13–26 peptide after a brief molecular dynamics run (using the Discover engine, Amber force field, and a dielectric continuum environment) in the absence (Top Left) of ligand and in the presence of Dec-DETA (Top Right), Pep1a (Bottom Left), or Pep1b (Bottom Right). Ligands rendered as Corey–Pauling–Koltun (CPK) representations and Aβ13–26 as stick models with overlayed ribbon (colored red where the secondary structure type is α-helical).