Fig. 4.

Two examples of unfolded lysozyme structures obtained in molecular dynamics (MD) simulations performed by Raffaini and Ganazzoli (2010). Although the substrate was graphite in these simulations, our opinion is that similar results are to be expected for the air–water interface. It is worth noting that these simulations indicate that an ensemble of unfolded structures is likely to be formed, with the orientation of the protein at the time of initial contact playing an important role in determining the final, unfolded structure. Reproduced with permission