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NMF–DMSO mixtures have been used as a model to study the behavior of the peptide bond in non-aqueous medium. Excess enthalpy and the structure of the NMF–DMSO mixture were investigated in the NpT ensemble at 398K and 1atm using Monte Carlo simulations. The molecules were kept rigid in the original geometry and the inter-atomic interactions were calculated using the classical Coulomb and 6–12 Lennard-Jones...
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