Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters
Figure 8
Ramachandran-type free-energy surfaces for Tyr2–Trp9 residues of chignolin obtained from all trajectories of the SAAP-MC simulation at 300 K in water along with the plots of the native structures determined by NMR [58]. Contour lines are drawn in an interval of 1 kcal/mol.
