Lars Bo Stegeager Hemmingsen

Research output

Research output per year 1995 1995 1999 2002 2004 2006 2008 2011 2012 2015 2017 2019 2019

• 86 Journal article
• 4 Conference abstract in proceedings
• 4 Conference abstract in journal
• 3 Poster
• 9 More
  • 2 Book chapter
  • 2 Letter
  • 2 Review
  • 1 Article in proceedings
  • 1 Conference abstract for conference
  • 1 Paper

Research output per year

Research output per year

Search results

• 2008

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

  Hemmingsen, L. B. S., Vibenholt, J. E., Magnussen, M. J., Stachura, M. K., Bjerrum, M. J. & Thulstrup, P. W., 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

• Design of thiolate rich metal binding sites within a peptidic framework

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

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

  31 Citations (Scopus)

• Metal Site Dynamics on the Nanosecond Time Scale

  Stachura, M. K., Christensen, N. J., Olsen, L., Chakraborty, S., Pecoraro, V. L. & Hemmingsen, L. B. S., 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

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

  Heinz, U., Hemmingsen, L. B. S. & Adolph, H.-W., 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

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

  Rud-Petersen, K., Mikkelsen, K. V., Sauer, S. P. A. & Hemmingsen, L. B. S., 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

• 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, L. B. S., 2008, In: ISOLDE Newsletter. p. 19-20 2 p.

  Research output: Contribution to journal › Journal article › Communication

  1106 Downloads (Pure)

• Using diastereopeptides to control metal ion coordination in proteins

  Peacock, A. F. A., Hemmingsen, L. B. S. & 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

  50 Citations (Scopus)
• 2007

  Perturbed angular correlations of ¿ -rays (PAC) spectroscopy

  Hemmingsen, L. B. S. & 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

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

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

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

  73 Citations (Scopus)

  1257 Downloads (Pure)

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

  Iranzo, O., Thulstrup, P. W., Ryu, S.-B., Hemmingsen, L. B. S. & 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

  • Perturbed Angular Correlation 100%
  • Biological Chemistry 100%
  • 199Hg NMR 100%
  • Dithiolate 100%
  • Correlation Spectroscopy 100%
  56 Citations (Scopus)
• 2006

  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.-O., Jalkanen, K. J. & Hemmingsen, L. B. S., 2006, In: Journal of Physical Chemistry A. 110, 29, p. 9123-9129 7 p.

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

  12 Citations (Scopus)

• 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, L. B. S. & 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

  16 Citations (Scopus)

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

  Sas, K. N., Hemmingsen, L. B. S. & Danielsen, E. M., 2006, In: FEBS Letters. 580, 30, p. 6861-6864 4 p.

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

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

  Hemmingsen, L. B. S., Christensen, N. J., Olsen, L., Danielsen, E., Lee, K.-H., Matzapetakis, M. & Pecoraro, V. L., 2006. 1 p.

  Research output: Contribution to conference › Poster › Research

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

  Hemmingsen, L. B. S., Christensen, N. J., Olsen, L., Danielsen, E., Lee, K.-H., Matzapetakis, M. & Pecoraro, V. L., 2006. 1 p.

  Research output: Contribution to conference › Conference abstract for conference › Research

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

  Olsen, L., Jost, S., Adolph, H.-W., Pettersson, I., Hemmingsen, L. & Jørgensen, F. S., 2006, In: Bioorganic & Medicinal Chemistry. 14, 8, p. 2627-2635 9 p.

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

  • Pharmacophore Design 100%
  • Structure-based Pharmacophore Model 100%
  • Metallo-β-lactamase Inhibitors 100%
  • New Leads 100%
  • Metallo Beta Lactamase 100%
  41 Citations (Scopus)

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

  Sas, K. N., Haldrup, A., Hemmingsen, L. B. S., Danielsen, E. & Øgendal, L. H., 2006, In: Journal of Biological Inorganic Chemistry. 11, 4, p. 409-418 10 p.

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

  4 Citations (Scopus)

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

  Lee, K.-H., Cabello, C., Hemmingsen, L. B. S., 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

  48 Citations (Scopus)
• 2005

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

  Wang, Y., Hemmingsen, L. B. S. & Giedroc, D. P., 2005, In: Biochemistry. 44, 25, p. 8976-8988 13 p.

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

  49 Citations (Scopus)

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

  Lassen, P. R., Skytte, D. M., Hemmingsen, L. B. S., 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

  29 Citations (Scopus)
• 2004

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

  Olsen, L., Rasmussen, T., Hemmingsen, L. & 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

  23 Citations (Scopus)

• Biological applications of perturbed angular correlations of γ-ray spectroscopy

  Hemmingsen, L. B. S., 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

  53 Citations (Scopus)

• Docking and scoring of metallo-ß-lactamases inhibitors

  Olsen, L., Pettersson, I., Hemmingsen, L. B. S., Adolph, H.-W. & 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

• Evaluation of carbohydrate molecular mechanical force fields by quantum mechanical calculations

  Hemmingsen, L. B. S., 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

  61 Citations (Scopus)

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

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

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

  31 Citations (Scopus)
• 2003

  Lactam hydrolysis catalyzed by mononuclear metallo-ß-bactamases: A density functional study

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

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

  29 Citations (Scopus)
• 2002

  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, L., 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

  55 Citations (Scopus)

• 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, L., 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

  110 Citations (Scopus)

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

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

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

  16 Citations (Scopus)

• 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, L., 12 Sept 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

  16 Citations (Scopus)

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

  Olsen, L., Christiansen, O., Hemmingsen, L., 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

  18 Citations (Scopus)

• 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, L. & 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

  16 Citations (Scopus)
• 2001

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

  Hemmingsen, L., 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

  47 Citations (Scopus)
• 2000

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

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

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

  23 Citations (Scopus)

• 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, L. & 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

  16 Citations (Scopus)

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

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

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

  61 Citations (Scopus)

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

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

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

  4 Citations (Scopus)
• 1999

  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, L., Bjerrum, M., 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

  4 Citations (Scopus)

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

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

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

  8 Citations (Scopus)

• 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, L., Bjerrum, M. & Hansson, Ö., 1999, In: Biochemistry. 38, 35, p. 11531-11540 10 p.

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

  20 Citations (Scopus)

• 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.-M., Carfi, A., Dideberg, O., Wouters, J., Hemmingsen, L. & Bauer, R., 1999, In: Biochemistry. 38, p. 16500-16506 7 p.

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

  31 Citations (Scopus)

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

  Hemmingsen, L., Bauer, R., Bjerrum, M., Schwarz, K., Blaha, P. & Andersen, P., 1999, In: Inorganic Chemistry. 38, 12, p. 2860-2867 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
• 1997

  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, L., Singh, K. & Messerschmidt, A., 1997, In: FEBS Journal. 250, p. 249-259 11 p.

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

  9 Citations (Scopus)

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

  Bauer, R., Danielsen, E., Hemmingsen, L., Bjerrum, M., 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

  26 Citations (Scopus)

• 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, L., Sørensen, M. V., Ulstrup, J., Friis, E. P., Auld, D. S. & Bjerrum, M., 1997, In: Biochemistry. 36, 38, p. 11514-11524 11 p.

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

  15 Citations (Scopus)

• 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, L., 1997, In: Journal of Biological Inorganic Chemistry. 2, p. 567-579 13 p.

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

  24 Citations (Scopus)
• 1996

  Ab initio calculations of electric field gradients in cadmium complexes

  Hemmingsen, L. & 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

  30 Citations (Scopus)

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

  Bauer, R., Danielsen, E., Hansen, B., Hemmingsen, L., Bjerrum, M., Hansson, Ö., Karlsson, G. & Singh, S. K., 1996.

  Research output: Contribution to conference › Paper › Research

• Interplay between metal coordination geometry and protein structure

  Bauer, R., Bjerrum, M., Danielsen, E., Friis, E., Hammerstad, J. M., Hemmingsen, L., 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

  19 Citations (Scopus)

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

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

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

  23 Citations (Scopus)