title: Complete neglect of differential overlap study of the binding of salts to N-methyl acetamide.
abstract: The complete neglect of differential overlap method is used to investigate the binding of LiF, LiCl, NaF, and NaCl to N-methyl acetamide (NMA) as a model for these ions binding to a peptide moiety. The cation (formula: see text) anion interaction is shown to result in a net residual charge on NMA, which becomes less positive as the difference in electronegativity between the anion and cation of the salt present increases. A residual charge of smaller magnitude is also found on a water molecule in the analogous system cation (formula: see text) anion, which displays this same dependence.
mesh_terms: D000081:Acetamides; D000818:Animals; D000838:Anions; D001665:Binding Sites; D002412:Cations; D004563:Electrochemistry; D008968:Molecular Conformation; D011485:Protein Binding; D011789:Quantum Theory; D011898:Ranidae; D012492:Salts
chemical_list: D000081:Acetamides; D000838:Anions; D002412:Cations; D012492:Salts; C018595:N-methylacetamide
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