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. Author manuscript; available in PMC: 2013 Jul 25.
Published in final edited form as: J Chem Theory Comput. 2012 Jul 25;8(9):3022–3033. doi: 10.1021/ct3003817

Fig. 4.

Fig. 4

Correlation function of dH/dλ as a function of time (in ps). The left figure reports calculations at λ=0.5 of the MPH1 (red) and MPH2 (green) phases of the mutation from ILE side chain analog to GLN sidechain analog in solution. In the same figure the MPH1 (blue) and MPH2 (pink) phases of the same mutations in vacuum are reported. The right figure shows the calculations at λ=0.5 of the MPH1 (red) and MPH2 (green) of the solvation of ILE side chain. In the same figure the MPH1 (blue) and the MPH2 (pink) phases of the solvation of GLN side chain analog are also reported.