Lars Bo Stegeager Hemmingsen
Associate Professor
Department of Chemistry
Universitetsparken 5, 2100 København Ø, 73 Højhus 73, Building: 73-5-T563
Member of:
- 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › 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 › Research › peer-review
- 2002
- 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
ID: 4233372
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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 › Research › peer-review
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1086
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Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein
Research output: Contribution to conference › Poster › Research
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766
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TDPAC and β-NMR applications in chemistry and biochemistry
Research output: Contribution to journal › Journal article › Research › peer-review
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