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Dependence of proton affinity of small molecule N-formyl-glycinamide on backbone conformation. (a) the deprotonation reaction and calculation of proton affinity as the heat of formation of the forward reaction, (b) the proton affinity distribution of the small molecule N-formyl-glycinamide as a function of the backbone dihedral angles, and (c) the most acidic and basic conformations based on the proton affinity distribution.
