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. 2022 Apr 11;126(15):2798–2811. doi: 10.1021/acs.jpcb.2c00696

Figure 2.

Figure 2

(Top) Example of a non-Gaussian distribution of MM → SQM work values W. Additional modes of more negative work values are circled in red. The average work value is indicated by a green line and – 3σ by a red line. (Bottom) Same data displayed as a “quasi” time series; green and red lines indicate and – 3σ as before. Individual switches with working values deviating by more than 3σ are highlighted by green circles. All work values are in kcal/mol.