Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters
Figure 9
Free-energy surfaces of chignolin projected on the hydrogen bonds I versus III plane (a) and on the hydrogen bond II versus main-chain RMSD plane (b) obtained from all trajectories of the SAAP-MC simulation at 300 K in water. Contour lines are drawn in an interval of 1 kcal/mol.
