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. Author manuscript; available in PMC: 2012 Mar 17.
Published in final edited form as: J Phys Chem B. 2011 Feb 21;115(10):2465–2469. doi: 10.1021/jp111682x

Figure 2.

Figure 2

Committor distribution for the residues suggested by the kPCA method for a transition state found in Ref. 6. The kPCA method was able to produce a guess for the reaction coordinate that led to a distribution that has the expected shape.