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. Author manuscript; available in PMC: 2024 Nov 13.
Published in final edited form as: J Chem Theory Comput. 2018 Dec 20;15(1):625–636. doi: 10.1021/acs.jctc.8b00485

Figure 3:

Figure 3:

Representative structures from simulation of CLN025. (a) Compact native-like structure with RMSD = 1.5 Å. (b) Compact mis-folded structure with RMSD = 2.5 Å. (c) Extended conformation of CLN025 with RMSD = 7.3 Å. The RMSD is computed relative to the experimental structure. The representative compact native-like and extended conformations were used for the analysis presented here.