<p>Figure S10. The two-dimensional free energy landscape (FEL) based on RMSD and <em>R</em><sub>g</sub> on 200ns simulation. a–d shows the FEL of both variants in water and on graphene. Each are plotted with their respective RMSD and <em>R</em><sub>g</sub> values over time and color map is used to represents Gibbs free energy (∆<em>G</em>) (kcal mol<sup>–1</sup>). E-D show both variants structure extracted at the start (blue), 100 ns (pink) and 200 ns (orange) time points upon binding to graphene and aligned.</p>
Funding
Manchester-Bangor DTP2
Biotechnology and Biological Sciences Research Council