Lars Bo Stegeager Hemmingsen

Lars Bo Stegeager Hemmingsen

Associate Professor

Member of:


    1. 2023
    2. Published
    3. Published

      Calculation of electric field gradients in Cd(II) model complexes of the CueR protein metal site

      O'Shea, C. A., Fromsejer, R., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 2023, In: Physical Chemistry Chemical Physics. 25, p. 12277-12283 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    4. Published

      Molecular rotational correlation times and nanoviscosity determined by 111mCd perturbed angular correlation (PAC) of γ‐rays spectroscopy

      Fromsejer, R., Jensen, Marianne Lund, Zacate, M. O., Karner, V., Pecoraro, V. L. & Hemmingsen, Lars Bo Stegeager, 2023, In: Chemistry: A European Journal. 29, 9, 5 p., e202203084.

      Research output: Contribution to journalJournal articlepeer-review

    5. Published

      Near-surface dynamics of the ionic liquid EMIM-Ac above and below the glass transition

      Fujimoto, D., Karner, V. L., Dehn, M. H., Dunsiger, S. R., Hemmingsen, Lars Bo Stegeager, Kiefl, R. F., Mcfadden, R. M. L., Michal, C. A., Morris, G. D., Li, R., Pearson, M., Szunyogh, D., Thoeng, E., Ticknor, J. O., Macfarlane, W. A. & Stachura, M., 2023, In: Journal of Physics: Conference Series. 2462, 8 p., 012051.

      Research output: Contribution to journalConference articlepeer-review

    6. Published

      Probing the Bioinorganic Chemistry of Cu(I) with 111Ag Perturbed Angular Correlation (PAC) Spectroscopy

      Karner, V., Jancso, A. & Hemmingsen, Lars Bo Stegeager, 2023, In: Inorganics. 11, 10, 13 p., 375.

      Research output: Contribution to journalJournal articlepeer-review

    7. Published

      Revisiting the hydrolysis of ampicillin catalyzed by Temoneira-1 β-lactamase, and the effect of Ni(II), Cd(II) and Hg(II)

      Nafaee, Z. H., Egyed, V., Jancsó, A., Tóth, A., Gerami, A. M., Dang, T. T., Heiniger-Schell, J., Hemmingsen, Lars Bo Stegeager, Hunyadi-Gulyás, É., Peintler, G. & Gyurcsik, B., 2023, In: Protein Science. 32, 12, 20 p., e4809.

      Research output: Contribution to journalJournal articlepeer-review

    8. 2022
    9. Published

      Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy

      Mcfadden, R. M. L., Szunyogh, D., Bravo-frank, N., Chatzichristos, A., Dehn, M. H., Fujimoto, D., Jancsó, A., Johannsen, S., Kálomista, I., Karner, V. L., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., Mckenzie, I., Mcphee, H., Morris, G. D., Pearson, M. R., Sauer, S. P. A. & 5 others, Sigel, R. K. O., Thulstrup, Peter Waaben, Macfarlane, W. A., Hemmingsen, Lars Bo Stegeager & Stachura, M., 26 Aug 2022, In: Angewandte Chemie International Edition. 61, 35, 8 p., e202207137.

      Research output: Contribution to journalJournal articlepeer-review

    10. Published

      Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations

      Fromsejer, R., Haas, H., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 16 Aug 2022, In: Chemical Physics Letters. 801, 4 p., 139704.

      Research output: Contribution to journalJournal articlepeer-review

    11. Published

      An Extremely Stable Interprotein Tetrahedral Hg(Cys)4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH

      Luczkowski, M., Padjasek, M., Tran, J. B., Hemmingsen, Lars Bo Stegeager, Kerber, O., Habjanic, J., Freisinger, E. & Krezel, A., 2022, In: Chemistry: A European Journal. 28, 66, 13 p., e202202738.

      Research output: Contribution to journalJournal articlepeer-review

    12. Published

      Towards in vivo applications of111 Ag perturbed angular correlation of γ-rays (PAC) spectroscopy

      Tosato, M., Asti, M., Di Marco, V., Jensen, Marianne Lund, Schell, J., Dang, T. T., Koster, U., Jensen, M. & Hemmingsen, Lars Bo Stegeager, 2022, In: Applied Radiation and Isotopes. 190, 8 p., 110508.

      Research output: Contribution to journalJournal articlepeer-review

    13. Published

      Tying Up a Loose End: On the Role of the C-Terminal CCHHRAG Fragment of the Metalloregulator CueR

      Balogh, R. K., Gyurcsik, B., Jensen, M., Thulstrup, Peter Waaben, Koester, U., Christensen, Niels Johan, Jensen, Marianne Lund, Hunyadi-Gulyas, E., Hemmingsen, Lars Bo Stegeager & Jancso, A., 2022, In: ChemBioChem. 23, 16, 9 p., 202200290.

      Research output: Contribution to journalJournal articlepeer-review

    14. 2021
    15. Published

      A reference compound for 199mHg perturbed angular correlation of γ-rays spectroscopy

      Jancsó, A., Correia, J. G., Balogh, R. K., Schell, J., Jensen, Marianne Lund, Szunyogh, D., Thulstrup, Peter Waaben & Hemmingsen, Lars Bo Stegeager, 21 Jun 2021, In: Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 1002, 165154.

      Research output: Contribution to journalJournal articlepeer-review

    16. Published

      Free molecule studies by perturbed γ-γ angular correlation: A new path to accurate nuclear quadrupole moments

      Haas, H., Röder, J., Correia, J. G., Schell, J., Fenta, A. S., Vianden, R., Larsen, E. M. H., Aggelund, P. A., Fromsejer, R., Hemmingsen, Lars Bo Stegeager, Sauer, Stephan P. A., Lupascu, D. C. & Amaral, V. S., 11 Mar 2021, In: Physical Review Letters. 126, 10-12, 6 p., 103001.

      Research output: Contribution to journalJournal articlepeer-review

    17. Published

      Dynamics of nuclear recoil: QM-BOMD simulations of model systems following β-decay

      Fromsejer, R., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 2021, In: Physical Chemistry Chemical Physics. 23, 45, p. 25689–25698 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    18. Published

      Perturbed angular correlation spectra due to rotating electric field gradients

      Zacate, M. O. & Hemmingsen, Lars Bo Stegeager, 2021, In: Hyperfine Interactions. 242, 13 p., 56.

      Research output: Contribution to journalConference articlepeer-review

    19. 2020
    20. Published

      Flexibility of the CueR Metal Site Probed by Instantaneous Change of Element and Oxidation State from AgI to CdII

      Balogh, R. K., Gyurcsik, B., Jensen, M., Thulstrup, Peter Waaben, Köster, U., Christensen, Niels Johan, Mørch, F. J., Jensen, Marianne Lund, Jancsó, A. & Hemmingsen, Lars Bo Stegeager, 2020, In: Chemistry: A European Journal. 26, 33, p. 7451-7457 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    21. Published

      Probing the secondary structure of individual Aβ40 amorphous aggregates and fibrils by AFM-IR spectroscopy

      Herzberg, M., Szunyogh, D., Thulstrup, Peter Waaben, Hassenkam, Tue & Hemmingsen, Lars Bo Stegeager, 2020, In: ChemBioChem. p. 3521-3524 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    22. 2019
    23. Published

      C-terminal Cysteines of CueR Act as Auxiliary Metal Site Ligands upon HgII Binding—A Mechanism To Prevent Transcriptional Activation by Divalent Metal Ions?

      Balogh, R. K., Gyurcsik, B., Hunyadi-Gulyás, É., Schell, J., Thulstrup, Peter Waaben, Jancsó, A. & Hemmingsen, Lars Bo Stegeager, 2019, In: Chemistry - A European Journal. 25, 66, p. 15030–15035 6 p.

      Research output: Contribution to journalLetterpeer-review

    24. Published

      Dynamics of Liquid 1-Ethyl-3-Methylimidazolium Acetate Measured with Implanted-Ion 8Li β-NMR

      Fujimoto, D., McFadden, R. M. L., Dehn, M. H., Petel, Y., Chatzichristos, A., Hemmingsen, Lars Bo Stegeager, Karner, V. L., Kiefl, R. F., Levy, C. D. P., McKenzie, I., Michal, C. A., Morris, G. D., Pearson, M. R., Szunyogh, D. M., Ticknor, J. O., Stachura, M. & McFarlane, W. A., 2019, In: Chemistry of Materials. 31, 22, p. 9346-9353 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    25. Published

      Effects of Cu(II) on the aggregation of amyloid-β

      Weibull, M. G. M., Simonsen, S., Oksbjerg, C. R., Tiwari, M. K. & Hemmingsen, Lars Bo Stegeager, 2019, In: Journal of Biological Inorganic Chemistry. 24, p. 1197-1215 19 p.

      Research output: Contribution to journalReviewpeer-review

    26. Published

      Hg2+ and Cd2+ binding of a bioinspired hexapeptide with two cysteine units constructed as a minimalistic metal ion sensing fluorescent probe

      Szekeres, L. I., Bálint, S., Galbács, G., Kálomista, I., Kiss, T., Larsen, F. H., Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2019, In: Dalton Transactions. 48, 23, p. 8327-8339

      Research output: Contribution to journalJournal articlepeer-review

    27. Published

      Rotational correlation times of proteins determined by 111mCd PAC spectroscopy

      Fromsejer, R. & Hemmingsen, Lars Bo Stegeager, 2019, In: Hyperfine Interactions. 240, 1, 88.

      Research output: Contribution to journalJournal articlepeer-review

    28. 2018
    29. Published

      Direct observation of Mg2+ complexes in ionic liquid solutions by 31Mg β-NMR spectroscopy

      Szunyogh, D., McFadden, R. M. L., Karner, V. L., Chatzichristos, A., Day Goodacre, T., Dehn, M. H., Formenti, L., Fujimoto, D., Gottberg, A., Kallenberg, E., Kálomista, I., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., Macfarlane, W. A., McKenzie, I., Morris, G. D., Pallada, S. & 6 others, Pearson, M. R., Sauer, Stephan P. A., Schaffer, P., Thulstrup, Peter Waaben, Hemmingsen, Lars Bo Stegeager & Stachura, M., 2018, In: Dalton Transactions. 47, 41, p. 14431-14435 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    30. Published

      Incorporation of second coordination sphere d-amino acids alters Cd(II) geometries in designed thiolate-rich proteins

      Ruckthong, L., Deb, A., Hemmingsen, Lars Bo Stegeager, Penner-Hahn, J. E. & Pecoraro, V. L., 2018, In: Journal of Biological Inorganic Chemistry. 23, 1, p. 123-135 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    31. 2017
    32. Published

      Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site

      Stachura, M. K., Chakraborty, S., Gottberg, A., Ruckthong, L., Pecoraro, V. L. & Hemmingsen, Lars Bo Stegeager, 2017, In: Journal of the American Chemical Society. 139, 1, p. 79-82 4 p.

      Research output: Contribution to journalJournal articlepeer-review

    33. Published

      Nanosecond Dynamics at Protein Metal Sites: An Application of Perturbed Angular Correlation (PAC) of γ-Rays Spectroscopy

      Chakraborty, S., Pallada, S., Pedersen, J. T., Jancso, A., Correia, J. G. & Hemmingsen, Lars Bo Stegeager, 2017, In: Accounts of Chemical Research. 50, 9, p. 2225-2232 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    34. Published

      Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet

      Haas, H., Sauer, Stephan P. A., Hemmingsen, Lars Bo Stegeager, Kellö, V. & Zhao, P. W., 2017, In: EPL. 117, 6, 6 p., 62001.

      Research output: Contribution to journalJournal articlepeer-review

    35. Published

      TDPAC and β-NMR applications in chemistry and biochemistry

      Jancso, A., Correia, J. G., Gottberg, A., Schell, J., Stachura, M., Szunyogh, D. M., Pallada, S., Lupascu, D. C., Kowalska, M. & Hemmingsen, Lars Bo Stegeager, 2017, In: Journal of Physics G: Nuclear and Particle Physics. 44, 6, 25 p., 064003.

      Research output: Contribution to journalJournal articlepeer-review

    36. Published

      The Pathogenic A2V Mutant Exhibits Distinct Aggregation Kinetics, Metal Site Structure, and Metal Exchange of the Cu2+-Aβ Complex

      Somavarapu, A. K., Shen, F., Teilum, Kaare, Zhang, J., Mossin, S., Thulstrup, Peter Waaben, Bjerrum, Morten Jannik, Tiwari, M. K., Szunyogh, D., Søtofte, P. M., Kepp, K. P. & Hemmingsen, Lars Bo Stegeager, 2017, In: Chemistry - A European Journal. 23, 55, p. 13591-13595 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    37. Published

      Towards 31Mg-β-NMR resonance linewidths adequate for applications in magnesium chemistry

      Stachura, M., McFadden, R. M. L., Chatzichristos, A., Dehn, M. H., Gottberg, A., Hemmingsen, Lars Bo Stegeager, Jancso, A., Karner, V. L., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., MacFarlane, W. A., Morris, G. D., Pallada, S., Pearson, M. R., Szunyogh, D. M., Thulstrup, Peter Waaben & Voss, A., 2017, In: Hyperfine Interactions. 238, 1, 8 p., 32.

      Research output: Contribution to journalJournal articlepeer-review

    38. Published

      d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils

      Ruckthong, L., Peacock, A. F. A., Pascoe, C. E., Hemmingsen, Lars Bo Stegeager, Stuckey, J. A. & Pecoraro, V. L., 2017, In: Chemistry - A European Journal. 23, 34, p. 8232-8243 12 p.

      Research output: Contribution to journalJournal articlepeer-review

    39. 2016
    40. Published

      Amyloid-β and α-synuclein decrease the level of metal-catalyzed reactive oxygen species by radical scavenging and redox silencing

      Pedersen, J. T., Chen, S. W., Borg, C. B., Ness, S., Bahl, J. M., Heegard, N. H. H., Dobson, C. M., Hemmingsen, Lars Bo Stegeager, Cremades, N. & Teilum, Kaare, 2016, In: Journal of the American Chemical Society. 138, 12, p. 3966-3969 4 p.

      Research output: Contribution to journalJournal articlepeer-review

    41. Published

      Versatile Ion-polarized Techniques On-line (VITO) experiment at ISOLDE-CERN

      Stachura, M. K., Gottberg, A., Johnston, K., Bissell, M. L., Ruiz, R. F. G., Martins Correia, J., Granadeiro Costa, A. R., Dehn, M., Deicher, M., Fenta, A. S., Hemmingsen, Lars Bo Stegeager, Molholt, T. E., Munch, M., Neyens, G., Pallada, S., Silva, M. R. & Zakoucky, D., 2016, In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 376, p. 369-373 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    42. 2015
    43. Published

      Aggregation prone amyloid-β⋅CuII Species formed on the millisecond timescale at mildly acidic conditions

      Pedersen, J. T., Borg, C. B., Michaels, T. C. T., Knowles, T. P. J., Faller, P., Teilum, Kaare & Hemmingsen, Lars Bo Stegeager, 2015, In: ChemBioChem. 16, 9, p. 1293-1297 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    44. Published

      Metal ion mediated transition from random coil to β-sheet and aggregation of Bri2-23, a natural inhibitor of Aβ aggregation

      Luczkowski, M., De Ricco, R., Stachura, M. K., Potocki, S., Hemmingsen, Lars Bo Stegeager & Valensin, D., 2015, In: Metallomics. 7, 3, p. 478-490 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    45. Published

      Perspectives for the VITO beam line at ISOLDE, CERN

      Garcia Ruiz, R. F., Bissel, M. L., Gottberg, A., Stachura, M. K., Hemmingsen, Lars Bo Stegeager, Neyens, G. & Severijns, N., 2015, Proceedings, 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS15): Dresden, Germany, August 25-29, 2014. Schwengner, R. & Zuber, K. (eds.). EDP Sciences, 6 p. 07004. (E P J Web of Conferences, Vol. 93).

      Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

    46. Published

      Specificity of the metalloregulator CueR for monovalent metal ions: possible functional role of a coordinated thiol?

      Szunyogh, D., Szokolai, H., Thulstrup, Peter Waaben, Larsen, F. H., Gyurcsik, B., Christensen, Niels Johan, Stachura, M. K., Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2015, In: Angewandte Chemie International Edition. 54, 52, p. 15756-15761 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    47. Published

      Toward applications of β-NMR spectroscopy in chemistry and biochemistry

      Stachura, M. K., Gottberg, A., Kowalska, M., Johnston, K. & Hemmingsen, Lars Bo Stegeager, 2015, In: Nuclear Physics News. 25, 2, p. 25-29 5 p.

      Research output: Contribution to journalJournal article

    48. Published

      Variable primary coordination environments of Cd(ɪɪ) binding to three helix bundles provide a pathway for rapid metal exchange

      Tebo, A. G., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2015, In: Metallomics. 7, 12, p. 1555-1561 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    49. Published

      ZnII and HgII binding to a designed peptide that accommodates different coordination geometries

      Szunyogh, D., Gyurcsik, B., Larsen, F. H., Stachura, M., Thulstrup, Peter Waaben, Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2015, In: Dalton Transactions (Print Edition). 44, p. 12576–12588 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    50. 2014
    51. Published

      Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution

      Gottberg, A., Stachura, M. K., Kowalska, M., Bissell, M. L., Arcisauskaité, V., Blaum, K., Helmke, A., Johnston, K., Kreim, K., Larsen, F. H., Neugart, R., Neyens, G., Ruiz, R. F. G., Szunyogh, D., Thulstrup, Peter Waaben, Yordanov, D. T. & Hemmingsen, Lars Bo Stegeager, 2014, In: ChemPhysChem. 15, 18, p. 3929–3932 4 p.

      Research output: Contribution to journalJournal articlepeer-review

    52. Published

      Binding of Cu2+ to the islet amyloid polypeptide (IAPP)

      Andersen-Usaj, J., Bonde, A. C., Pihl, J., Thomsen, M. F., Shavit, M., Pedersen, J. T., Teilum, Kaare, Thulstrup, Peter Waaben & Hemmingsen, Lars Bo Stegeager, 2014, In: Journal of Biological Inorganic Chemistry. 19, suppl. 2, p. S812 1 p., P 101.

      Research output: Contribution to journalConference abstract in journalpeer-review

    53. Published

      Islet amyloid polypeptide (IAPP)-Structural effects of Zn2+

      Shavit, M., Bonde, A. C., Pihl, J., Thomsen, M. F., Pedersen, J. T., Andersen-Usaj, J., Teilum, Kaare, Hemmingsen, Lars Bo Stegeager & Thulstrup, Peter Waaben, 2014, In: Journal of Biological Inorganic Chemistry. 19, Suppl. 2, p. S813 1 p., P 102.

      Research output: Contribution to journalConference abstract in journalpeer-review

    54. Published

      pH dependence of amyloid-β-Cu(II) binding and oligomerization kinetics

      Pedersen, J. T., Borg, C. B., Teilum, Kaare & Hemmingsen, Lars Bo Stegeager, 2014, In: Journal of Biological Inorganic Chemistry. 19, Suppl 2, p. S755 1 p.

      Research output: Contribution to journalConference abstract in journalpeer-review

    55. 2013
    56. Published

      Controlling self-assembly of a peptide-based material via metal-ion induced registry shift

      Anzini, P., Xu, C., Hughes, S., Magnotti, E., Jiang, T., Hemmingsen, Lars Bo Stegeager, Demeler, B. & Conticello, V. P., 2013, In: Journal of the American Chemical Society. 135, 28, p. 10278-10281 4 p.

      Research output: Contribution to journalJournal articlepeer-review

    57. Published

      Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein

      Jancsó, A., Szokolai, H., Roszahegyi, L., Szunyogh, D., Hemmingsen, Lars Bo Stegeager, Thulstrup, Peter Waaben & Larsen, F. H., 2013. 1 p.

      Research output: Contribution to conferencePosterResearch

    58. Published

      Probing the coordination environment of the human copper chaperone HAH1: characterization of HgII-bridged homodimeric species in solution

      Łuczkowski, M., Zeider, B. A., Hinz, A. V. H., Stachura, M. K., Chakraborty, S., Hemmingsen, Lars Bo Stegeager, Huffman, D. L. & Pecoraro, V. L., 2013, In: Chemistry: A European Journal. 19, 27, p. 9042-9049 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    59. 2012
    60. Published

      Application of 204mPb perturbed angular correlation of ¿-rays spectroscopy in coordination chemistry

      Vibenholt, J. E., Schau-Magnussen, M., Stachura, M. K., Bjerrum, Morten Jannik, Thulstrup, Peter Waaben, Arcisauskaité, V. & Hemmingsen, Lars Bo Stegeager, 2012, In: Inorganic Chemistry. 51, 4, p. 1992-1994 3 p.

      Research output: Contribution to journalJournal articlepeer-review

    61. Published

      Design of a peptidic turn with high affinity for HgII

      Pires, S., Habjanic, J., Sezer, M., Soares, C. M., Hemmingsen, Lars Bo Stegeager & Iranzo, O., 2012, In: Inorganic Chemistry. 51, 21, p. 11339-11348 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    62. Published

      Electric field gradients in Hg compounds: molecular orbital (MO) analysis and comparison of four-component and two-component (ZORA) methods

      Arcisauskaité, V., Knecht, S., Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2012, In: Physical Chemistry Chemical Physics. 14, 46, p. 16070-16079 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    63. Published

      Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds

      Arcisauskaité, V., Knecht, S., Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2012, In: Physical Chemistry Chemical Physics. 14, 8, p. 2651-2657

      Research output: Contribution to journalJournal articlepeer-review

    64. Published

      Rapid exchange of metal between Zn7-metallothionein-3 and amyloid-β peptide promotes amyloid-related structural changes

      Pedersen, J. T., Hureau, C., Hemmingsen, Lars Bo Stegeager, Heegaard, N. H. H., Østergaard, Jesper, Vasák, M. & Faller, P., 2012, In: Biochemistry. 51, 8, p. 1697-1706

      Research output: Contribution to journalJournal articlepeer-review

    65. 2011
    66. Published

      Metal Ion Controlled Polymorphism of a Peptide

      Hemmingsen, Lars Bo Stegeager, Jancso, A., Szunyogh, D., Larsen, F. H., Thulstrup, Peter Waaben, Christensen, Niels Johan & Gyurcsik, B., 15 Jun 2011.

      Research output: Contribution to conferencePosterResearch

    67. Published

      Controlling and fine tuning the physical properties of two identical metal coordination sites in de novo designed three stranded coiled coil peptides

      Iranzo, O., Chakraborty, S., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2011, In: Journal of the American Chemical Society. 133, 2, p. 239-251 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    68. Published

      Design of a three-helix bundle capable of binding heavy metals in a triscysteine environment

      Chakraborty, S., Kravitz, J. Y., Thulstrup, Peter Waaben, Hemmingsen, Lars Bo Stegeager, DeGrado, W. F. & Pecoraro, V. L., 2011, In: Angewandte Chemie International Edition. 50, 9, p. 2049-2053 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    69. Published

      Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods

      Arcisauskaité, V., Melo, J. I., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 2011, In: Journal of Chemical Physics. 135, 044306, 11 p.

      Research output: Contribution to journalJournal articlepeer-review

    70. Published

      Rapid formation of a preoligomeric peptide-metal-peptide complex following copper(II) binding to amyloid β peptides

      Pedersen, J. T., Teilum, Kaare, Heegaard, N. H. H., Østergaard, Jesper, Adolph, H. & Hemmingsen, Lars Bo Stegeager, 2011, In: Angewandte Chemie International Edition. 50, 11, p. 2532-2535 4 p.

      Research output: Contribution to journalLetterpeer-review

    71. Published

      Towards the role of metal ions in the structural variability of proteins: CdII speciation of a metal ion binding loop motif

      Jancsó, A., Szunyogh, D., Larsen, F. H., Thulstrup, Peter Waaben, Christensen, N. J., Gyurcsik, B. & Hemmingsen, Lars Bo Stegeager, 2011, In: Metallomics. 3, 12, p. 1331-1339 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    72. 2010
    73. Published

      Mercury-Containing RNA Scaffolds

      Paulus, S., Johansen, S., Düpre, N., Thulstrup, Peter Waaben, Hemmingsen, Lars Bo Stegeager, Müller, J. & Sigel, R., 2010, In: Chimia. 1, p. 436 1 p.

      Research output: Contribution to journalConference abstract in journal

    74. Published

      Catalytic role of the metal ion in the metallo-ß-lactamase GOB

      Lise, M., Hemmingsen, Lars Bo Stegeager & Vila, A. J., 2010, In: Journal of Biological Chemistry. 285, 7, p. 4570-4577 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    75. Published

      Selected applications of perturbed angular correlation of ¿-rays (PAC) spectroscopy in biochemistry

      Hemmingsen, Lars Bo Stegeager, Stachura, M. K., Thulstrup, Peter Waaben, Christensen, Niels Johan & Johnston, K., 2010, In: Hyperfine Interactions. 197, 1-3, p. 255-267 13 p.

      Research output: Contribution to journalReviewpeer-review

    76. Published

      Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy

      Andersen, N. H., Christensen, Niels Johan, Lassen, P. R., Freedman, T. B. N., Nafie, L. A., Strømgaard, Kristian & Hemmingsen, Lars Bo Stegeager, 2010, In: Chirality. 22, 2, p. 217-223 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    77. 2009
    78. Published

      Structural adaptability of zinc binding sites: different structures in partially, fully, and heavy-metal loaded states

      Heinz, U., Hemmingsen, Lars Bo Stegeager, Kiefer, M. & Adolph, H., 2009, In: Chemistry: A European Journal. 15, 30, p. 7350–7358 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    79. Published

      The correlation of 113Cd NMR and 111mCd PAC spectroscopies provides a powerful approach for the characterization of the structure of CdII-substituted ZnII proteins

      Iranzov, O., Jakusch, T., Lee, K., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2009, In: Chemistry: A European Journal. 15, 15, p. 3761-3772 12 p.

      Research output: Contribution to journalJournal articlepeer-review

    80. Published

      Zinc ion-induced domain organization in metallo-ß-lactamases: a flexible "zinc arm" for rapid metal ion transfer?

      Selevsek, N., Rival, S., Tholey, A., Heinzle, E., Heinz, U., Hemmingsen, Lars Bo Stegeager & Adolph, H., 2009, In: Journal of Biological Chemistry. 284, 24, p. 16419–16431 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    81. 2008
    82. Published

      A CuI-sensing arsr family metal sensor protein with a relaxed metal selectivity profile

      Lui, T., Chen, X., Ma, Z., Shokes, J., Hemmingsen, Lars Bo Stegeager, Scott, R. A. & Giedroc, D. P., 2008, In: Biochemistry. 47, 40, p. 10564-10575 12 p.

      Research output: Contribution to journalJournal articlepeer-review

    83. Published

      A Novel Technique to Probe the Inorganic and Bioinorganic Chemistry of Lead: 204mPb-PAC Spectroscopy

      Hemmingsen, Lars Bo Stegeager, Vibenholt, J. E., Magnussen, M. J., Stachura, M. K., Bjerrum, Morten Jannik & Thulstrup, Peter Waaben, 2008, 9th European Biological Inorganic Chemistry Conference. Faculty of Chemistry, University of Wroclaw, p. 196 1 p.

      Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsResearch

    84. Published

      A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

      Jalkanen, K. J., Gale, J. D., Lassen, P. R., Hemmingsen, Lars Bo Stegeager, Rodarte, A., Degtyarenko, I. M., Nieminen, R. M., Knapp-Mohammady, M., Suhai, S. & Christensen, Søren Brøgger, 2008, In: Theoretical Chemistry Accounts. 119, 1-3, p. 177-190 14 p.

      Research output: Contribution to journalJournal articlepeer-review

    85. Published

      Design of thiolate rich metal binding sites within a peptidic framework

      Luczkowski, M., Stachura, M. K., Schirf, V., Demeler, B., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2008, In: Inorganic Chemistry. 47, 23, p. 10875-10888 14 p.

      Research output: Contribution to journalJournal articlepeer-review

    86. Published

      Metal Site Dynamics on the Nanosecond Time Scale

      Stachura, M. K., Christensen, Niels Johan, Olsen, L., Chakraborty, S., Pecoraro, V. L. & Hemmingsen, Lars Bo Stegeager, 2008, EUROBIC9: 9th European Biological Inorganic Chemistry Conference. Cebrat, M., Kulon, K. & Luczkowski, M. (eds.). Faculty of Chemistry, University of Wroclaw, p. 305 1 p.

      Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsResearch

    87. Published

      Molecular Intelligence: Flexible Response of Zinc Fingers on Metal Ion Supply

      Heinz, U., Hemmingsen, Lars Bo Stegeager & Adolph, H., 2008, EUROBIC9: 9th European Biological Inorganic Chemistry Conference. Cebrat, M., Kulon, K. & Luczkowski, M. (eds.). Faculty of Chemistry, University of Wroclaw, p. 195 1 p.

      Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsResearch

    88. Published

      NMR and PAC Properties of Heavy Metal Ions in Proteins: A Theoretical Study

      Rud-Petersen, K., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2008, EUROBIC9: 9th European Biological Inorganic Chemistry Conference. Cebrat, M., Kulon, K. & Luczkowski, M. (eds.). p. 290 1 p.

      Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsResearch

    89. Published
    90. Published

      Using diastereopeptides to control metal ion coordination in proteins

      Peacock, A. F. A., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2008, In: Proceedings of the National Academy of Science of the United States of America. 105, 43, p. 16566-16571 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    91. 2007
    92. Published

      Perturbed angular correlations of ¿ -rays (PAC) spectroscopy

      Hemmingsen, Lars Bo Stegeager & Butz, T., 2007, Applications of Physical Methods to Inorganic and Bioinorganic Chemistry. Scott, R. A. & Lukehart, C. M. (eds.). IEEE Computer Society Press, p. 424-439 16 p.

      Research output: Chapter in Book/Report/Conference proceedingBook chapterResearch

    93. Published

      Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension

      Sonne, J., Jensen, M. Ø., Hansen, F. Y., Hemmingsen, Lars Bo Stegeager & Peters, G. H., 2007, In: Biophysical Journal. 92, 12, p. 4157-4167 11 p.

      Research output: Contribution to journalJournal articlepeer-review

    94. Published

      The application of 199Hg NMR and 199mHg perturbed angular correlation (PAC) spectroscopy to define the biological chemistry of HgII: a case study with designed two- and three-stranded coiled coils

      Iranzo, O., Thulstrup, Peter Waaben, Ryu, S., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2007, In: Chemistry: A European Journal. 13, 33, p. 9178-9190 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    95. 2006
    96. Published

      Direct determination of absolute configuration of methyl-substituted phenyloxiranes: combined experimental and theoretical approach

      Fristrup, P., Lassen, P. R., Johannessen, C., Tanner, D., Norrby, P., Jalkanen, K. J. & Hemmingsen, Lars Bo Stegeager, 2006, In: Journal of Physical Chemistry A. 110, 29, p. 9123-9129 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    97. Published

      Fast cadmium inhibition of photosynthesis in cyanobacteria in vivo and in vitro studies using perturbed angular correlation of ¿-rays

      Sas, K. N., Kovács, L., Zsíros, O., Gombos, Z., Garab, G., Hemmingsen, Lars Bo Stegeager & Danielsen, E., 2006, In: Journal of Biological Inorganic Chemistry. 11, 6, p. 725-734 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    98. Published

      Long lived intermediate metal site structure upon binding of cadmium to plastocyanin

      Sas, K. N., Hemmingsen, Lars Bo Stegeager & Danielsen, E. M., 2006, In: FEBS Letters. 580, 30, p. 6861-6864 4 p.

      Research output: Contribution to journalJournal articlepeer-review

    99. Published

      Metal ion binding site dynamics on the nanosecond time scale: a 111mCd-PAC spectroscopic study

      Hemmingsen, Lars Bo Stegeager, Christensen, Niels Johan, Olsen, L., Danielsen, E., Lee, K., Matzapetakis, M. & Pecoraro, V. L., 2006. 1 p.

      Research output: Contribution to conferenceConference abstract for conferenceResearch

    100. Published

      Metal ion binding site dynamics on the nanosecond timescale: a 111mCd-PAC spectroscopic study

      Hemmingsen, Lars Bo Stegeager, Christensen, Niels Johan, Olsen, L., Danielsen, E., Lee, K., Matzapetakis, M. & Pecoraro, V. L., 2006. 1 p.

      Research output: Contribution to conferencePosterResearch

    101. Published

      New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design

      Olsen, L., Jost, S., Adolph, H., Pettersson, I., Hemmingsen, Lars Bo Stegeager & Jørgensen, Flemming Steen, 2006, In: Bioorganic & Medicinal Chemistry. 14, 8, p. 2627-2635 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    102. Published

      Using nonnatural amino acids to control metal-coordination number in three-stranded coiled coils

      Lee, K., Cabello, C., Hemmingsen, Lars Bo Stegeager, Marsh, E. N. G. & Pecoraro, V. L., 2006, In: Angewandte Chemie - International Edition. 45, 18, p. 2864-2868 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    103. Published

      pH-dependent structural change of reduced spinach plastocyanin studied by perturbed angular correlation of gamma-rays and dynamic light scattering

      Sas, K. N., Haldrup, Anna, Hemmingsen, Lars Bo Stegeager, Danielsen, E. & Øgendal, Lars Holm, 2006, In: Journal of Biological Inorganic Chemistry. 11, 4, p. 409-418 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    104. 2005
    105. Published

      Structural and functional characterization of Mycobacterium tuberculosis CmtR, a PbII/CdII-sensing SmtB/ArsR metalloregulatory repressor

      Wang, Y., Hemmingsen, Lars Bo Stegeager & Giedroc, D. P., 2005, In: Biochemistry. 44, 25, p. 8976-8988 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    106. Published

      Structure and absolute configuration of nyasol and hinokiresinol via synthesis and vibrational circular dichroism spectroscopy

      Lassen, P. R., Skytte, D. M., Hemmingsen, Lars Bo Stegeager, Nielsen, S. F., Freedman, T. B., Nafie, L. A. & Christensen, S. B., 2005, In: Journal of Natural Products. 68, 11, p. 1603-1609 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    107. 2004
    108. Published

      Binding of benzylpenicillin to metallo-ß-lactamase: a QM/MM study

      Olsen, L., Rasmussen, T., Hemmingsen, Lars Bo Stegeager & Ryde, U., 2004, In: The Journal of Physical Chemistry B. 108, 45, p. 17639-17648 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    109. Published

      Biological applications of perturbed angular correlations of γ-ray spectroscopy

      Hemmingsen, Lars Bo Stegeager, Sas, K. N. & Danielsen, E., 2004, In: Chemical Reviews. 104, 9, p. 4027-4061 35 p.

      Research output: Contribution to journalJournal articlepeer-review

    110. Docking and scoring of metallo-ß-lactamases inhibitors

      Olsen, L., Pettersson, I., Hemmingsen, Lars Bo Stegeager, Adolph, H. & Jørgensen, F. S., 2004, In: Journal of Computer - Aided Molecular Design. 18, p. 287-302 16 p.

      Research output: Contribution to journalJournal articlepeer-review

    111. Evaluation of carbohydrate molecular mechanical force fields by quantum mechanical calculations

      Hemmingsen, Lars Bo Stegeager, Madsen, D. E., Esbensen, A. L., Olsen, L. & Engelsen, S. B., 2004, In: Carbohydrate Research. 339, 5, p. 937-948 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    112. Published

      First principle calculations of 113Cd chemical shifts for proteins and model systems

      Hemmingsen, Lars Bo Stegeager, Olsen, L., Antony, J. & Sauer, Stephan P. A., 2004, In: Journal of Biological Inorganic Chemistry. 9, 5, p. 591-599

      Research output: Contribution to journalJournal articlepeer-review

    113. 2003
    114. Lactam hydrolysis catalyzed by mononuclear metallo-ß-bactamases: A density functional study

      Olsen, L., Antony, J., Ryde, U., Adolph, H. & Hemmingsen, Lars Bo Stegeager, 2003, In: The Journal of Physical Chemistry B. 107, p. 2366-2375 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    115. 2002
    116. Published

      Coordination geometries of Zn(II) and Cd(II) in phosphotriesterase: Influence of water molecules in the active site

      Krauss, M., Olsen, L., Antony, J. & Hemmingsen, Lars Bo Stegeager, 12 Sep 2002, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 106, 36, p. 9446-9453 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    117. Published

      Binding of D- and L-captopril inhibitors to metallo-beta-lactamase studied by polarizable molecular mechanics and quantum mechanics

      Antony, J., Gresh, N., Olsen, L., Hemmingsen, Lars Bo Stegeager, Schofield, C. J. & Bauer, R., 2002, In: Journal of Computational Chemistry. 23, 13, p. 1281-1296 16 p.

      Research output: Contribution to journalJournal articlepeer-review

    118. Published

      Comparison of the binding of cadmium(II), mercury(II), and arsenic(III) to the de novo designed peptides TRI L12C and TRI L16C

      Matzapetakis, M., Farrer, B. T., Weng, T. C., Hemmingsen, Lars Bo Stegeager, Penner-Hahn, J. E. & Pecoraro, V. L., 2002, In: Journal of the American Chemical Society. 124, 27, p. 8042-8054 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    119. Published

      Coordination geometrics of Zn(II) and Cd(II) in phosphotriesterase: influence of water molecules inthe active site

      Krauss, M., Olsen, L., Antony, J. & Hemmingsen, Lars Bo Stegeager, 2002, In: Journal of Physical Chemistry B. 106, 36, p. 9446-9453 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    120. Published

      Electric field gradients of water: a systematic investigation of basis set, electron correlation, and rovibrational effects

      Olsen, L., Christiansen, O., Hemmingsen, Lars Bo Stegeager, Sauer, S. P. A. & Mikkelsen, K. V., 2002, In: Journal of Chemical Physics. 116, 4, p. 1424-1434 11 p.

      Research output: Contribution to journalJournal articlepeer-review

    121. Published

      Structure of a metal ion binding site in beta-lactamase: uantum mechanical study of the influence of hydrogen-bonding network and backbone constraints

      Olsen, L., Antony, J., Hemmingsen, Lars Bo Stegeager & Mikkelsen, K. V., 2002, In: Journal of Physical Chemistry A. 106, 6, p. 1046-1053 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    122. 2001
    123. Published

      Dynamics of mononuclear cadmium beta-lactamase revealed by the combination of NMR and PAC spectroscopy

      Hemmingsen, Lars Bo Stegeager, Damlon, C., Antony, J., Jensen, M., Adolph, H. W., Wommer, S., Roberts, G. C. K. & Bauer, R., 2001, In: Journal of the American Chemical Society. 123, p. 10329-10335 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    124. 2000
    125. Published

      A ¤chemical potential equalization model for treating polarization in molecular mechanical force fields

      Bret, C., Field, M. J. & Hemmingsen, Lars Bo Stegeager, 2000, In: Molecular Physics. 98, 11, p. 751-763 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    126. Published

      Density functional calculation of the electric field gradient in cadmium complexes: comparison with Hartree-Fock, second-order Møller-Plesset, and experimental results

      Antony, J., Hansen, B., Hemmingsen, Lars Bo Stegeager & Bauer, R., 2000, In: Journal of Physical Chemistry A. 104, p. 6047-6055 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    127. Published

      Importance of charge transfer and polarization effects for the modeling of uranyl-cation complexes

      Hemmingsen, Lars Bo Stegeager, Amara, P., Ansoborlo, E. & Field, M. J., 2000, In: Journal of Physical Chemistry A. 104, p. 4095-4101 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    128. Published

      Interaction and coordination geometries for Ag(I) in the two metal sites of hemocyanin

      Holm, J. K., Hemmingsen, Lars Bo Stegeager, Bubacco, L., Salvato, B. & Bauer, R., 2000, In: FEBS Journal. 267, p. 1754-1760 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    129. 1999
    130. Published

      Effects of the nuclear transformation 111Ag(I) to 111Cd(II) in a single crystal of Ag[111Ag] (imidazole)2NO3

      Hansen, B., Bukrinsky, J. T., Hemmingsen, Lars Bo Stegeager, Bjerrum, Morten Jannik, Singh, K. & Bauer, R., 1999, In: Physical Review B Condensed Matter. 59, 22, p. 14182-14190 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    131. Published

      Nuclear quadrupole interactions in cadmium complexes: semiempirical and ab initio calculations

      Hemmingsen, Lars Bo Stegeager, Ryde, U. & Bauer, R., 1999, In: Zeitschrift für Naturforschung. Section A. 54, p. 422-430 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    132. Published

      Plastocyanin binding to photosystem I as a function of the charge state of the metal ion: effect of metal site conformation

      Danielsen, E., Scheller, H. V., Bauer, R., Hemmingsen, Lars Bo Stegeager, Bjerrum, Morten Jannik & Hansson, Ö., 1999, In: Biochemistry. 38, 35, p. 11531-11540 10 p.

      Research output: Contribution to journalJournal articlepeer-review

    133. Published

      Preference of Cd(II) and Zn(II) for the two metal sites in Bacillus cereus beta-lactamase II: a perturbed angular correlation of gamma-rays spectroscopic study

      Paul-Soto, R., Zeppezauer, M., Adolph, H. W., Galleni, M., Frère, J., Carfi, A., Dideberg, O., Wouters, J., Hemmingsen, Lars Bo Stegeager & Bauer, R., 1999, In: Biochemistry. 38, p. 16500-16506 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    134. Published

      Structure, chemical bonding, and nuclear quadrupole interactions of beta-Cd(OH)2: experiment and first principles calculations

      Hemmingsen, Lars Bo Stegeager, Bauer, R., Bjerrum, Morten Jannik, Schwarz, K., Blaha, P. & Andersen, P., 1999, In: Inorganic Chemistry. 38, 12, p. 2860-2867 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    135. 1997
    136. Published

      Coordination geometries for monovalent and divalent metal ions in [His121]azurin: studies using perturbed angular correlations of gamma-rays from 111Ag and 111mCd

      Danielsen, E., Kroes, S. J., Canters, G. W., Bauer, R., Hemmingsen, Lars Bo Stegeager, Singh, K. & Messerschmidt, A., 1997, In: FEBS Journal. 250, p. 249-259 11 p.

      Research output: Contribution to journalJournal articlepeer-review

    137. Published

      Interplay between oxidation state and coordination geometry of metal ions in azurin

      Bauer, R., Danielsen, E., Hemmingsen, Lars Bo Stegeager, Bjerrum, Morten Jannik, Hansson, Ö. & Singh, K., 1997, In: Journal of the American Chemical Society. 119, p. 157-162 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    138. Published

      Structure and dynamics of the metal site of cadmium-substituted carboxypeptidase A in solution and crystalline states and under steady-state peptide hydrolysis

      Bauer, R., Danielsen, E., Hemmingsen, Lars Bo Stegeager, Sørensen, M. V., Ulstrup, J., Friis, E. P., Auld, D. S. & Bjerrum, Morten Jannik, 1997, In: Biochemistry. 36, 38, p. 11514-11524 11 p.

      Research output: Contribution to journalJournal articlepeer-review

    139. Published

      The ¤active-site metal coordination geometry of cadmium-substituted alcohol dehydrogenase: a theoretical interpretation of perturbed angular correlation of gamma-ray measurements

      Ryde, U. & Hemmingsen, Lars Bo Stegeager, 1997, In: Journal of Biological Inorganic Chemistry. 2, p. 567-579 13 p.

      Research output: Contribution to journalJournal articlepeer-review

    140. 1996
    141. Published

      Ab initio calculations of electric field gradients in cadmium complexes

      Hemmingsen, Lars Bo Stegeager & Ryde, U., 1996, In: Journal of Physical Chemistry. 100, 12, p. 4803-4809 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    142. Published

      Influence of valence state of metal ion on structure of metal site in a Cu-protein

      Bauer, R., Danielsen, E., Hansen, B., Hemmingsen, Lars Bo Stegeager, Bjerrum, Morten Jannik, Hansson, Ö., Karlsson, G. & Singh, S. K., 1996.

      Research output: Contribution to conferencePaperResearch

    143. Published

      Interplay between metal coordination geometry and protein structure

      Bauer, R., Bjerrum, Morten Jannik, Danielsen, E., Friis, E., Hammerstad, J. M., Hemmingsen, Lars Bo Stegeager, Pedersen, M. V. & Ulstrup, J., 1996, Protein folds : a distance-based approach. Bohr, H. A. B. S. (ed.). Boca Raton: CRC Press, p. 31-42 12 p.

      Research output: Chapter in Book/Report/Conference proceedingBook chapterResearch

    144. Published

      The ¤protein conformation of Cd-substituted horse liver alcohol dehydrogenase and its metal-site coordination geometry in binary and ternary inhibitor complexes

      Hemmingsen, Lars Bo Stegeager, Bauer, R., Bjerrum, Morten Jannik, Adolph, H. W., Zeppezauer, M. & Cedergren-Zeppezauer, E., 1996, In: FEBS Journal. 241, p. 546-551 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    145. 1995
    146. Published

      Bayes' theorem applied to the selection of models in PAC

      Hemmingsen, Lars Bo Stegeager & Hansen, S., 1995, In: Zeitschrift für Naturforschung. Section A. 51, p. 422-426 5 p.

      Research output: Contribution to journalJournal articlepeer-review

    147. Published

      Cd-substituted horse liver alcohol dehydrogenase: catalytic site metal coordination geometry and protein conformation

      Hemmingsen, Lars Bo Stegeager, Bauer, R., Bjerrum, Morten Jannik, Zeppezauer, M., Adolph, H. W., Formicka, G. & Cedergren-Zeppezauer, E., 1995, In: Biochemistry. 34, p. 7145-7153 9 p.

      Research output: Contribution to journalJournal articlepeer-review

    148. Published

      Effect of inhibitors on the coordination geometries of cadmium at the metal sites in angiotensin-I-converting enzyme

      Carvalho, E., Göthe, P. O., Bauer, R., Danielsen, E. & Hemmingsen, Lars Bo Stegeager, 1995, In: European Journal of Biochemistry. 234, p. 780-785 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    149. Published

      Small scale intramolecular flexibility in 111mCd-plastocyanin

      Tröger, W., Lippert, C., Butz, T., Sigfridsson, K., Hansson, Ö., McLaughlin, E., Bauer, R., Danielsen, E., Hemmingsen, Lars Bo Stegeager & Bjerrum, Morten Jannik, 1995, In: Zeitschrift für Naturforschung. Section A. 51, 6 p.

      Research output: Contribution to journalJournal articlepeer-review

    150. Published

      Structure of metal site in Cd-substituted His117Gly mutant of azurin with and without addition of imidazole derivatives

      Danielsen, E., Bauer, R., Hemmingsen, Lars Bo Stegeager, Bjerrum, Morten Jannik, Butz, T., Tröger, W., Canters, G. W., Den Blaauwen, T. & Van Pouderoyen, G., 1995, In: European Journal of Biochemistry. 233, p. 554-560 7 p.

      Research output: Contribution to journalJournal articlepeer-review

    151. Published

      Structure of metal site in azurin, met121 mutants of azurin, and stellacyanin investigated by 111mCd perturbed angular correlation (PAC)

      Danielsen, E., Bauer, R., Hemmingsen, Lars Bo Stegeager, Andersen, M., Bjerrum, Morten Jannik, Butz, T., Tröger, W., Canters, G. W., Hoitink, C. W. G., Karlsson, G., Hansson, Ö. & Messerschmidt, A., 1995, In: The Journal of Biological Chemistry. 270, 2, p. 573-580 8 p.

      Research output: Contribution to journalJournal articlepeer-review

    ID: 4233372