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Ke, S.-C., Torrent, M., Musaev, D.G., Morokuma, K. and Warncke, K. 1999. "Identification of Dimethylbenzimidazole Axial Coordination and Characterization of 14N Superhyperfine and Nuclear Quadrupole Coupling in Cob(II)alamin Bound to Ethanolamine Deaminase in a Catalytically-Engaged Substrate Radical-Co(II) Biradical State", Biochemistry, 38, 12681-12689.
Torrent, M., Musaev, D.G., Ke, S.-C., Warncke, K. and Morokuma, K. 1999. "Calculation of Nuclear Quadrupole Parameters in Imidazole Derivatives and Extrapolation to Coenzyme B12: A Theoretical Study", J. Phys. Chem. B 103, 8618-8627.
Ke, S.-C. and Warncke, K. 1999. " Interactions of Substrate and Product Radicals with Co(II) in Cobalamin and with the Active Site in Ethanolamine Deaminase Characterized by ESE-EPR and 14N ESEEM Spectroscopies", J. Am. Chem. Soc. 121, 9922-9927.
Warncke, K., Schmidt, J.C. and Ke, S.-C. 1999. "Identification of a Rearranged Substrate, Product Radical Intermediate and the Contribution of a Product Radical Trap in Vitamin B12 Coenzyme-Dependent Ethanolamine Deaminase Catalysis", J. Am. Chem. Soc. 121, 10522-10528.
Warncke, K. and Perry, M. S. 2001. "Redox State Dependence of Rotamer Distributions in Tyrosine and Neutral Tyrosyl Radical". Biochim. Biophys. Acta 1545, 1-5.
Trommel, J. S., Warncke, K. and Marzilli, L. G. 2001. "Assessment of the Existence of Hyper-Long Axial Co(II)-N Bonds in Cobinamide B12 Models by using Electron Paramagnetic Resonance Spectroscopy". J. Am. Chem. Soc. 123, 3358-3366.
Warncke, K. and Utada, A. S. 2001. "Interaction of the Substrate Radical and the 5'-Deoxyadenosine-5'-Methyl Group in Vitamin B12 Coenzyme-Dependent Ethanolamine Deaminase". J. Am. Chem. Soc 123, 8564-8572.
Canfield, J. M. and Warncke, K. 2002. "Geometry of Reactant Centers in the CoII-Substrate Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase Determined by using Orientation-Selection-ESEEM Spectroscopy". J. Phys. Chem. B 106, 8831-8841.
Khoroshun, D.V., Warncke, K., Ke, S.-C., Musaev, D. G., Morokuma, K. 2003. "Internal Degrees of Freedom, Structural Motifs and Conformational Energetics of 5'-Deoxyadenosyl Radical: Implications for Function in Adenosylcobalamin-Dependent Enzymes. A Computational Study." J. Am. Chem. Soc. 125 , 570-579.
Warncke, K. and Canfield, J.M. 2004. "Direct Determination of Product Radical Structure Reveals the Radical Rearrangement Pathway in a Coenzyme B12-Dependent Enzyme", J. Am. Chem. Soc. 126, 5930-5931.
Warncke, K. 2005. "Characterization of the Product Radical Structure in the CoII-Product Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase by using Three-Pulse 2H ESEEM Spectroscopy". Biochemistry 44, 3184-3193.
Canfield, J. M. and Warncke, K. 2005. "Active Site Reactant Center Geometry in the CoII-Product Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase Determined by Using Orientation-Selection-ESEEM Spectroscopy". J. Phys. Chem. B 109, 3053-3046.
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Moser, C.C., Keske, J.M., Warncke, K., Farid, R.S. and Dutton, P.L. 1992. "Nature of biological electron transfer", Nature 355, 796-802.
Warncke, K. and Dutton, P. L. 1993. "Influence of QA site redox cofactor structure on equilibrium binding, in situ electrochemistry, and electron transfer performance in the photosynthetic reaction center protein", Biochemistry 32, 4769-4779.
Warncke, K. and Dutton, P.L. 1993. "Experimental resolution of the free energies of aqueous solvation contributions to ligand-protein binding: Quinone-QA site interactions in the photosynthetic reaction center protein", Proc. Natl. Acad. Sci. 90, 2920-2924.
Warncke, K., Gunner, M. R., Braun, B. S., Gu, L.-Q., Yu, C.-A., Bruce, J. M., and Dutton, P. L. 1994. "Influence of hydrocarbon tail structure on quinone binding and electron transfer performance at the QA and QB sites of the photosynthetic reaction center protein", Biochemistry 32, 4769-4779.
Warncke, K., Babcock, G. T., Dooley, D. M., McGuirl, M. A., and McCracken, J. 1994. "Structure of the topa-semiquinone catalytic intermediate of amine oxidase as revealed by magnetic interactions with exchangeable 2H and 1H nuclei", J. Am. Chem. Soc. 116, 4028-4037.
Warncke, K. and McCracken, J. 1994. "2H Electron spin echo envelope modulation (ESEEM) spectroscopy of strong a-hydrogen hyperfine interactions in randomly-oriented paramagnetic systems", J. Chem. Phys. 101, 1832-1841.
Warncke, K., McCracken, J., and Babcock, G. T. 1994. "Structure of the YD tyrosine radical in photosystem II as revealed by 2H electron spin echo envelope modulation (ESEEM) spectroscopic analysis of hydrogen hyperfine interactions", J. Am. Chem. Soc. 116, 7332-7340.
Warncke, K., Brooks, H. B., Lee, H.-I., McCracken, J., Davidson, V. L. and Babcock, G. T. 1995. "Structure of the dithionite-generated tryptophan tryptophylquinone cofactor radical in methylamine dehydrogenase revealed by ENDOR and ESEEM spectroscopies", J. Am. Chem. Soc. 117, 10063-10075.
Tommos, C., Tang, X.-S., Warncke, K., Hoganson, C. W., Styring, S., McCracken, J., Diner, B. A. and Babcock, G. T. 1995. "Spin density distribution, conformation, and hydrogen bonding of the redox-active tyrosine YZ in Photosystem II from Multiple Electron Magnetic-Resonance Spectroscopies: Implications for Photosynthetic Oxygen Evolution", J. Am. Chem. Soc. 117, 10325-10335.
Warncke, K. and McCracken, J. 1995. "Analysis of static distributions in hydrogen hyperfine interactions in randomly-oriented radicals in the solid state by using 2H ESEEM spectroscopy: Conformational dispersion of b-2H coupling in the model tyrosine radical", J. Chem. Phys. 103, 6829-6840.
Hoganson, C. W., Lydakis-Simaniris, N., Tang, X.-S., Tommos, C., Warncke, K., Babcock, G. T., Diner, B. A., McCracken, J., Styring, S. 1995. "A hydrogen-atom abstraction model for the function of YZ in photosynthetic oxygen evolution", Photosyn. Res. 46, 177-184.
Warncke, K., Babcock, G. T. and McCracken, J. 1996. "Static conformational distributions in the solid state: Analysis and application to angular dispersion in side chain orientations in model tyrosine in aqueous glass", J. Phys. Chem., 100, 4654-4661.
Babcock, G.T., Espe, M., Hoganson, C., Lydakis-Simantiris, N., McCracken, J., Shi, W., Styring, S., Tommos, C. and Warncke, K. 1997. "Tyrosyl radicals in enzyme catalysis: some properties and a focus on photosynthetic water oxidation", Acta Chem. Scand. 51, 533-540.