Lars Bo Stegeager Hemmingsen

Lars Bo Stegeager Hemmingsen

Associate Professor

Member of:

    ORCID: 0000-0002-1823-3035

    Publication year:
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    1 - 100 out of 124Page size: 100
    1. 2024
    2. Accepted/In press

      On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study

      Wu, H., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 22 Apr 2024, (Accepted/In press) In: Magnetic Resonance in Chemistry.

      Research output: Contribution to journal › Journal article › Research › peer-review

    3. 2023
    4. Published

      On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study

      Wu, H., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 21 Dec 2023, arxiv.org, 15 p.

      Research output: Working paper › Preprint › Research

    5. 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 journal › Journal article › Research › peer-review

    6. 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 journal › Journal article › Research › peer-review

    7. 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 journal › Conference article › Research › peer-review

    8. 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 journal › Journal article › Research › peer-review

    9. 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 journal › Journal article › Research › peer-review

    10. 2022
    11. 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 journal › Journal article › Research › peer-review

    12. 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 journal › Journal article › Research › peer-review

    13. 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 journal › Journal article › Research › peer-review

    14. 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 journal › Journal article › Research › peer-review

    15. 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 journal › Journal article › Research › peer-review

    16. 2021
    17. 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 journal › Journal article › Research › peer-review

    18. 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 journal › Journal article › Research › peer-review

    19. 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 journal › Journal article › Research › peer-review

    20. 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 journal › Conference article › Research › peer-review

    21. 2020
    22. 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 journal › Journal article › Research › peer-review

    23. 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 journal › Journal article › Research › peer-review

    24. 2019
    25. 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 journal › Letter › Research › peer-review

    26. 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 journal › Journal article › Research › peer-review

    27. 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 journal › Review › Research › peer-review

    28. 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 journal › Journal article › Research › peer-review

    29. 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 journal › Journal article › Research › peer-review

    30. 2018
    31. 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 journal › Journal article › Research › peer-review

    32. 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 journal › Journal article › Research › peer-review

    33. 2017
    34. 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 journal › Journal article › Research › peer-review

    35. 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 journal › Journal article › Research › peer-review

    36. 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 journal › Journal article › Research › peer-review

    37. 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 journal › Journal article › Research › peer-review

    38. 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 journal › Journal article › Research › peer-review

    39. 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 journal › Journal article › Research › peer-review

    40. 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 journal › Journal article › Research › peer-review

    41. 2016
    42. 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 journal › Journal article › Research › peer-review

    43. 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 journal › Journal article › Research › peer-review

    44. 2015
    45. 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 journal › Journal article › Research › peer-review

    46. 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 journal › Journal article › Research › peer-review

    47. 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 proceeding › Article in proceedings › Research › peer-review

    48. 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 journal › Journal article › Research › peer-review

    49. 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 journal › Journal article › Research

    50. 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 journal › Journal article › Research › peer-review

    51. 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 journal › Journal article › Research › peer-review

    52. 2014
    53. 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 journal › Journal article › Research › peer-review

    54. 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 journal › Conference abstract in journal › Research › peer-review

    55. 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 journal › Conference abstract in journal › Research › peer-review

    56. 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 journal › Conference abstract in journal › Research › peer-review

    57. 2013
    58. 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 journal › Journal article › Research › peer-review

    59. 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 conference › Poster › Research

    60. 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 journal › Journal article › Research › peer-review

    61. 2012
    62. 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 journal › Journal article › Research › peer-review

    63. 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 journal › Journal article › Research › peer-review

    64. 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 journal › Journal article › Research › peer-review

    65. 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 journal › Journal article › Research › peer-review

    66. 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 journal › Journal article › Research › peer-review

    67. 2011
    68. 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 conference › Poster › Research

    69. 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 journal › Journal article › Research › peer-review

    70. 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 journal › Journal article › Research › peer-review

    71. 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 journal › Journal article › Research › peer-review

    72. 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 journal › Letter › Research › peer-review

    73. 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 journal › Journal article › Research › peer-review

    74. 2010
    75. 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 journal › Conference abstract in journal › Research

    76. 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 journal › Journal article › Research › peer-review

    77. 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 journal › Review › Research › peer-review

    78. 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 journal › Journal article › Research › peer-review

    79. 2009
    80. 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 journal › Journal article › Research › peer-review

    81. 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 journal › Journal article › Research › peer-review

    82. 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 journal › Journal article › Research › peer-review

    83. 2008
    84. 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 journal › Journal article › Research › peer-review

    85. 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 proceeding › Conference abstract in proceedings › Research

    86. 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 journal › Journal article › Research › peer-review

    87. 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 journal › Journal article › Research › peer-review

    88. 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 proceeding › Conference abstract in proceedings › Research

    89. 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 proceeding › Conference abstract in proceedings › Research

    90. 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 proceeding › Conference abstract in proceedings › Research

    91. Published

      Pb(II) and Hg(II) binding to de novo designed proteins studied by 204mPb- and 199mHg-perturbed angular correlation of ¿-rays (PAC) spectroscopy: clues to heavy metal toxicity

      Hemmingsen, Lars Bo Stegeager, 2008, In: ISOLDE Newsletter. p. 19-20 2 p.

      Research output: Contribution to journal › Journal article › Communication

    92. 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 journal › Journal article › Research › peer-review

    93. 2007
    94. 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 proceeding › Book chapter › Research

    95. 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 journal › Journal article › Research › peer-review

    96. 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 journal › Journal article › Research › peer-review

    97. 2006
    98. 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 journal › Journal article › Research › peer-review

    99. 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 journal › Journal article › Research › peer-review

    100. 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 journal › Journal article › Research › peer-review

    101. 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 conference › Conference abstract for conference › Research

    102. 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 conference › Poster › Research

    103. 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 journal › Journal article › Research › peer-review

    104. 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 journal › Journal article › Research › peer-review

    105. 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 journal › Journal article › Research › peer-review

    106. 2005
    107. 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 journal › Journal article › Research › peer-review

    108. 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 journal › Journal article › Research › peer-review

    109. 2004
    110. 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 journal › Journal article › Research › peer-review

    111. 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 journal › Journal article › Research › peer-review

    112. 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 journal › Journal article › Research › peer-review

    113. 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 journal › Journal article › Research › peer-review

    114. 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 journal › Journal article › Research › peer-review

    115. 2003

    116. 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 journal › Journal article › Research › peer-review

    117. 2002
    118. 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 journal › Journal article › Research › peer-review

    119. 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 journal › Journal article › Research › peer-review

    120. 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 journal › Journal article › Research › peer-review

    121. 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 journal › Journal article › Research › peer-review

    122. 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 journal › Journal article › Research › peer-review

    123. 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 journal › Journal article › Research › peer-review

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