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. Author manuscript; available in PMC: 2021 Jan 28.
Published in final edited form as: ACS Chem Neurosci. 2016 Feb 10;7(3):286–296. doi: 10.1021/acschemneuro.5b00242

Figure 3.

Figure 3.

Representative conformations of the first nine most-populated clusters for wild-type (a) and I149P mutant (b) hexamers at 310 K from the REMD simulations. The corresponding population of each cluster is given in parentheses.