Figure 4.

Difference contact map $\langle \Delta C\left(i,j\right)\rangle$ shows changes in the probabilities of interpeptide contacts between residues i and j in Aβ dimer at 360 K. Values of $\langle \Delta C\left(i,j\right)\rangle$ are color coded according to the scale. The inset displays the numbers of interpeptide contacts formed by residues i in Aβ dimer: $\langle C_d\left(i\right)\rangle$(in black) for naproxen solution, $\langle C_d\left(i;w\right)\rangle$(in gray) for water. The Nt and Ct terminals are boxed. These plots reveal that naproxen weakens interpeptide interactions, but does not shift the dimer aggregation interface, which is still centered in the Nt.