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

      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

    2. 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

    3. 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

    4. 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

    5. 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

    6. 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

    7. 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

    8. 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

    9. 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

    10. 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

    11. 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

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

    13. 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 proceeding › Book chapter › Research

    14. 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 conference › Paper › Research

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

    16. 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

    17. 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

    18. 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

    19. 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

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

    21. 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

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

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

    24. 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

    25. 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

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