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. Author manuscript; available in PMC: 2017 Aug 3.
Published in final edited form as: J Chem Theory Comput. 2017 May 17;13(6):2418–2429. doi: 10.1021/acs.jctc.7b00059

Figure 4.

Figure 4

Number of identified scattering states vs the number of initial structural clusters from the K63 triubiquitin aMD simulation. At a similarity restriction of Si,j = 2, the number of unique scattering states is unaltered when considering more than 100 structural states.