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. Author manuscript; available in PMC: 2013 Mar 21.
Published in final edited form as: J Chem Theory Comput. 2012 Sep 27;8(12):5035–5051. doi: 10.1021/ct3006248

Fig. 2.

Fig. 2

Structure of alanine dipeptide and two dihedral angles as reaction coordinate of isomerization. H, C, N, and O shown in white, cyan, blue, and red, respectively.