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Free energy changes (ΔΔG) arising from switching between flexible amine and rigid oxime linkages that connect the uracil and benzoic acid (30) binding fragments. Difference free energies are in kcal/mol relative to the DA (27) compound. The individual NH linkages that are changed when switching from DA (27) to MA1 (6), DO (14), or MA2 (22) are numbered as indicated (see text for further details).
