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Keywords:

  • charge–charge interactions;
  • hydrophobic effects;
  • molecular dynamics;
  • neutron diffraction;
  • peptide association
Thumbnail image of graphical abstract

What's the attraction? The structures of three dipeptides in aqueous solutions were investigated by using a combination of neutron diffraction and computer simulation. In each solution, peptide association was dominated by charge–charge rather than hydrophobic interactions (see the representative snapshot of the peptide/water box for glycyl-L-alanine; the water molecules are depicted by red crosses.)