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Illustration of key structures along the methyl migration step of aging reaction: (a) unprotonated Glu199, (b) Glu199Gln mutant and (c) protonated Glh199 models. S.S200 is the soman modified serine residue. The labeled distances (A) are averages and standard deviations calculated along the last 15 ps of 20 ps QM/MM MD simulations.
