Joseph D. Augspurger

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Whereas ab initio methods are feasible for computational evaluation of chemical shielding parameters in small molecules or molecular fragments, a simpler method is demonstrated for the evaluation of the relative effects of shielding due to electrostatic interactions, such as those which may arise from both inter-and intra-residue interactions in proteins(More)
1D and 2D NMR spectroscopy is used to determine the helical stability of two Aib-rich peptides, iBoc-(Aib)3-DkNap-Leu-Aib-Ala-(Aib)2-NH(CH2)2OCH3 (Dk4[7/9]) and Ac-(Aib)2-beta-(1'-naphthyl)Ala-(Aib)2-Phe-(Aib)2-NHMe (Nap3Phe6[6/8]), where the bracket notation indicates the number of Aib-class residues/total number of residues. 2D ROESY experiments, carried(More)
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