Lars Bo Stegeager Hemmingsen
Associate Professor
Department of Chemistry
Universitetsparken 5, 2100 København ÃÂ, 73 Højhus 73, Building: 73-5-T563
Member of:
- 2023
- Published
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2022
- 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, , 26 Aug 2022, In: Angewandte Chemie International Edition. 61, 35, 8 p., e202207137.Research output: Contribution to journal › Journal article › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2021
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2020
- 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 › peer-review
- 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 › peer-review
- 2019
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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. 8327-8339Research output: Contribution to journal › Journal article › peer-review
- 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 › peer-review
- 2018
- 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, , 2018, In: Dalton Transactions. 47, 41, p. 14431-14435 5 p.Research output: Contribution to journal › Journal article › peer-review
- 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 › peer-review
- 2017
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2016
- 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 › peer-review
- 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 › peer-review
- 2015
- 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 › peer-review
- 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 › peer-review
- 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
- 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 › peer-review
- 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
- 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 › peer-review
- 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 › peer-review
- 2014
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2013
- 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 › peer-review
- 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
- 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 › peer-review
- 2012
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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. 2651-2657Research output: Contribution to journal › Journal article › peer-review
- 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. 1697-1706Research output: Contribution to journal › Journal article › peer-review
- 2011
- 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
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2010
- 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
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2009
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2008
- 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 › peer-review
- 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
- 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 › peer-review
- 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 › peer-review
- 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
- 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
- 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
- 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
- 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 › peer-review
- 2007
- 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
- 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 › peer-review
- 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 › peer-review
- 2006
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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
- 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
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2005
- 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 › peer-review
- 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 › peer-review
- 2004
- 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 › peer-review
- 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 › peer-review
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 › peer-review
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 › peer-review
- 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. 591-599Research output: Contribution to journal › Journal article › peer-review
- 2003
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 › peer-review
- 2002
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- 2001
- 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 › peer-review
- 2000
- 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 › peer-review
- 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 › peer-review
- Published
Importance of charge transfer and polarization effects for the modeling of uranyl-cation complexes
Hemmingsen, Lars Bo Stegeager, Amara, P., Ansoborlo, E. & Field, M. J., 2000, In: Journal of Physical Chemistry A. 104, p. 4095-4101 7 p.Research output: Contribution to journal › Journal article › peer-review
- Published
Interaction and coordination geometries for Ag(I) in the two metal sites of hemocyanin
Holm, J. K., Hemmingsen, Lars Bo Stegeager, Bubacco, L., Salvato, B. & Bauer, R., 2000, In: FEBS Journal. 267, p. 1754-1760 7 p.Research output: Contribution to journal › Journal article › peer-review
- 1999
- 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 › peer-review
- Published
Nuclear quadrupole interactions in cadmium complexes: semiempirical and ab initio calculations
Hemmingsen, Lars Bo Stegeager, Ryde, U. & Bauer, R., 1999, In: Zeitschrift für Naturforschung. Section A. 54, p. 422-430 9 p.Research output: Contribution to journal › Journal article › peer-review
- 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 › peer-review
- Published
Preference of Cd(II) and Zn(II) for the two metal sites in Bacillus cereus beta-lactamase II: a perturbed angular correlation of gamma-rays spectroscopic study
Paul-Soto, R., Zeppezauer, M., Adolph, H. W., Galleni, M., Frère, J., Carfi, A., Dideberg, O., Wouters, J., Hemmingsen, Lars Bo Stegeager & Bauer, R., 1999, In: Biochemistry. 38, p. 16500-16506 7 p.Research output: Contribution to journal › Journal article › peer-review
- Published
Structure, chemical bonding, and nuclear quadrupole interactions of beta-Cd(OH)2: experiment and first principles calculations
Hemmingsen, Lars Bo Stegeager, Bauer, R., Bjerrum, Morten Jannik, Schwarz, K., Blaha, P. & Andersen, P., 1999, In: Inorganic Chemistry. 38, 12, p. 2860-2867 8 p.Research output: Contribution to journal › Journal article › peer-review
- 1997
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- Published
The ¤active-site metal coordination geometry of cadmium-substituted alcohol dehydrogenase: a theoretical interpretation of perturbed angular correlation of gamma-ray measurements
Ryde, U. & Hemmingsen, Lars Bo Stegeager, 1997, In: Journal of Biological Inorganic Chemistry. 2, p. 567-579 13 p.Research output: Contribution to journal › Journal article › peer-review
- 1996
- 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 › peer-review
- 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
- 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
- Published
The ¤protein conformation of Cd-substituted horse liver alcohol dehydrogenase and its metal-site coordination geometry in binary and ternary inhibitor complexes
Hemmingsen, Lars Bo Stegeager, Bauer, R., Bjerrum, Morten Jannik, Adolph, H. W., Zeppezauer, M. & Cedergren-Zeppezauer, E., 1996, In: FEBS Journal. 241, p. 546-551 6 p.Research output: Contribution to journal › Journal article › peer-review
- 1995
- 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 › peer-review
- 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 › peer-review
- 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 › peer-review
- Published
Small scale intramolecular flexibility in 111mCd-plastocyanin
Tröger, W., Lippert, C., Butz, T., Sigfridsson, K., Hansson, Ö., McLaughlin, E., Bauer, R., Danielsen, E., Hemmingsen, Lars Bo Stegeager & Bjerrum, Morten Jannik, 1995, In: Zeitschrift für Naturforschung. Section A. 51, 6 p.Research output: Contribution to journal › Journal article › peer-review
- 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 › peer-review
- 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 › peer-review
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Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension
Research output: Contribution to journal › Journal article › peer-review
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Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein
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765
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TDPAC and β-NMR applications in chemistry and biochemistry
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