Figure 1.

A pictorial description of binding modes. Most populated encounter complexes of β2μ (β2-microglobulin) on gold nanoparticle obtained by AA atomistic model (A) (reprinted with permission from Brancolini G., Toroz D., Corni S. (2014) Nanoscale, 6, 7903-7911) [7], with the CG (coarse-grained) model (B), and with the MS (mesoscale) model (C), respectively. The structures of representative complexes are ordered by decreasing cluster population. The protein backbone is shown in cartoon representation for the atomistic model and van der Waals representation for the CG and mesoscale models. In (B) and (C), each pose is labeled with the letter of the most similar AA atomistic pose.