Fig. 1.

Molecular dynamics simulations of solid-binding peptide and solid-binding protein. a) Typical disordered structure for the surface adsorbed conformations of the gold-binding peptide AuBP1. Side view on the left, top view on the right. The amino acid residues interacting with the gold surface are highlighted with thicker bonds. Water molecules are not shown for clarity. Reprinted with permission from Ref. [23]. Copyright 2013 American Chemical Society. b) Simulation results for the structured antifreeze protein MpdAFP of the beetle Micromeria punctipennis dzungarica. Side view (left) and top view (right) of the hexagonal ice-like water molecules atop the ice-binding site of the protein. The ice-binding site consists of an ordered array of β-sheets (blue arrows). Reprinted with permission from Ref. [24]. Copyright 2016 National Academy of Sciences.