Lars Bo Stegeager Hemmingsen

Lars Bo Stegeager Hemmingsen

Associate Professor

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    ORCID: 0000-0002-1823-3035

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    1. 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

    2. 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

    3. 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

    4. 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

    5. 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

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

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

    8. 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

    9. 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

    10. 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

    11. 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

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

    13. 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

    14. 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

    15. 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

    16. 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

    17. 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

    18. 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

    19. 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

    20. 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

    21. 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

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

    23. 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

    24. 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

    25. 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

    26. 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

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

    28. 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

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

    30. 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

    31. 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

    32. 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

    33. 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

    34. 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

    35. 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

    36. 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

    37. 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

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

    39. 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

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

    41. 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

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

    43. 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

    44. 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

    45. 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

    46. 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

    47. 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

    48. 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

    49. 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

    50. 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

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