| Vibrational circular dichroism LA Nafie, TA Keiderling, PJ Stephens Journal of the American Chemical Society 98 (10), 2715-2723, 1976 | 527 | 1976 |
| Differentiation of β-sheet-forming structures: Ab initio-based simulations of IR absorption and vibrational CD for model peptide and protein β-sheets J Kubelka, TA Keiderling Journal of the American Chemical Society 123 (48), 12048-12058, 2001 | 356 | 2001 |
| Reassessment of the random coil conformation: vibrational CD study of proline oligopeptides and related polypeptides RK Dukor, TA Keiderling Biopolymers: Original Research on Biomolecules 31 (14), 1747-1761, 1991 | 329 | 1991 |
| Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra P Bouř, J Sopková, L Bednárová, P Maloň, TA Keiderling Journal of Computational Chemistry 18 (5), 646-659, 1997 | 264 | 1997 |
| Vibrational circular dichroism TA Keiderling Applied Spectroscopy Reviews 17 (2), 189-226, 1981 | 232* | 1981 |
| Protein and peptide secondary structure and conformational determination with vibrational circular dichroism TA Keiderling Current opinion in chemical biology 6 (5), 682-688, 2002 | 229 | 2002 |
| Empirical modeling of the peptide amide I band IR intensity in water solution P Bouř, TA Keiderling The Journal of chemical physics 119 (21), 11253-11262, 2003 | 225 | 2003 |
| Ab Initio Calculation of Amide Carbonyl Stretch Vibrational Frequencies in Solution with Modified Basis Sets. 1. N-Methyl Acetamide J Kubelka, TA Keiderling The Journal of Physical Chemistry A 105 (48), 10922-10928, 2001 | 222 | 2001 |
| Site-specific conformational determination in thermal unfolding studies of helical peptides using vibrational circular dichroism with isotopic substitution R Silva, J Kubelka, P Bour, SM Decatur, TA Keiderling Proceedings of the National Academy of Sciences 97 (15), 8318-8323, 2000 | 218 | 2000 |
| The Anomalous Infrared Amide I Intensity Distribution in 13C Isotopically Labeled Peptide β-Sheets Comes from Extended, Multiple-Stranded Structures. An ab … J Kubelka, TA Keiderling Journal of the American Chemical Society 123 (25), 6142-6150, 2001 | 196 | 2001 |
| Nature of vibrational coupling in helical peptides: an isotopic labeling study R Huang, J Kubelka, W Barber-Armstrong, R Silva, SM Decatur, ... Journal of the American Chemical Society 126 (8), 2346-2354, 2004 | 177 | 2004 |
| Vibrational circular dichroism of polypeptides. 8. Poly (lysine) conformations as a function of pH in aqueous solution SC Yasui, TA Keiderling Journal of the American Chemical Society 108 (18), 5576-5581, 1986 | 171 | 1986 |
| Predictions of secondary structure using statistical analyses of electronic and vibrational circular dichroism and Fourier transform infrared spectra of proteins in H2O V Baumruk, P Pancoska, TA Keiderling Journal of molecular biology 259 (4), 774-791, 1996 | 161 | 1996 |
| Conformational Characterization of Terminally Blocked l-(αMe)Val Homopeptides Using Vibrational and Electronic Circular Dichroism. 310-Helical Stabilization by … G Yoder, A Polese, R Silva, F Formaggio, M Crisma, QB Broxterman, ... Journal of the American Chemical Society 119 (43), 10278-10285, 1997 | 157 | 1997 |
| 14-Coordinate uranium (IV). Structure of uranium borohydride by single-crystal neutron diffraction ER Bernstein, WC Hamilton, TA Keiderling, SJ La Placa, SJ Lippard, ... Inorganic Chemistry 11 (12), 3009-3016, 1972 | 150 | 1972 |
| Predictions of protein secondary structures using factor analysis on Fourier transform infrared spectra: Effect of Fourier self‐deconvolution of the amide I and amide II bands S Wi, P Pancoska, TA Keiderling Biospectroscopy 4 (2), 93-106, 1998 | 149 | 1998 |
| Circular dichroism and magnetic circular dichroism of iron-sulfur proteins PJ Stephens, AJ Thomson, JBR Dunn, TA Keiderling, J Rawlings, KK Rao, ... Biochemistry 17 (22), 4770-4778, 1978 | 141 | 1978 |
| Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra P Bouř, TA Keiderling The Journal of chemical physics 117 (9), 4126-4132, 2002 | 134 | 2002 |
| Ab initio quantum mechanical models of peptide helices and their vibrational spectra P Bour, J Kubelka, TA Keiderling Biopolymers: Original Research on Biomolecules 65 (1), 45-59, 2002 | 133 | 2002 |
| Optical spectroscopic investigations of model β-sheet hairpins in aqueous solution J Hilario, J Kubelka, TA Keiderling Journal of the American Chemical Society 125 (25), 7562-7574, 2003 | 128 | 2003 |
