Smoothing potential energy surface of proteins by hybrid coarse grained approach
Lu Yukun1, 2, Zhou Xin2, †, OuYang ZhongCan1
       

(color online) Folding trajectory of 1L2Y with hyCG force field and AA force field. (a)–(d) Backbone RMSD of hyCG and AA. The initial configurations are all extended conformation taken from 700 K simulation. Here 2 Å threshold is enough to judge whether the protein is folded. (e) The best folding structure taken from the second trajectory of hyCG with the RMSD equals to 0.88 Å. The red one is the native structure and the blue one is the hyCG’s result.