Joseph D. Augspurger

Learn More
We present a molecular model of the major "conformational substates" observed by infrared spectroscopy in carbonmonoxyhemoglobins, myoglobins, and peroxidases, in t e m of an electrical perturbation of the CO fundamental vibrational frequencies due to the possibility of Hez Hdl tautomerism, and 180° C@-C' ring flips, of distal histidine residues. The model(More)
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 interand intra-residue interactions in proteins and(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)
  • 1