Prof. Dr. Maria-Andrea Mroginski
Research interests
Quantum chemical calculations, theoretical approaches for spectroscopy, vibrational spectroscopy, calculations of vibrational spectra,
Research Fields in UniCat
Research Field E2
Research Field E3
Research Field E4
Selection of research projects
- Protein-adsorption on surfaces
- Resonance Raman spectroscopy
UniCat publications
| 805 Coupling of Ci-VSP Modules Requires a Combination of Structure and Electrostatics within the Linker K. Hobiger, T. Utesch, M. A. Mroginski, T. Friedrich Biophysical Journal 2012, 102, 1313 - 1322, 10.1016/j.bpj.2012.02.027 |
| 800 Mapping local electric fields in proteins at biomimetic interfaces G. Schkolnik, T. Utesch, J. Salewski, K. Tenger, D. Millo, A. Kranich, I. Zebger, C. Schulz, L. Zimanyi, G. Rakhely, M. A. Mroginski, P. Hildebrandt Chemical Communications 2012, 48, 70 - 72, 10.1039/c1cc13186a |
| 774 Insights into the structure of the active site of the O2-tolerant membrane-bound hydrogenase [NiFe] of R. eutropha H16 by molecular modeling Y. Rippers, T. Utesch, P. Hildebrandt, I. Zebger, M. A. Mroginski Physical Chemistry Chemical Physics 2011, 13, 16146 - 16149, |
| 772 The functional role of cytochrome b in the electron transfer pathway of the membrane bound hydrogenase from Re immobilized on electrodes M. Sezer, S. Frielingsdorf, D. Millo, I. Zebger, T. Utesch, M. A. Mroginski, N. Heidary, B. Friedrich, P. Hildebrandt, I. Weidinger Journal of Physical Chemistry B 2011, 115, 10368 - 10374, |
| 524 Three-Dimensional Structural Model of Chicken Liver Sulfite Oxidase in Its Activated Form T. Utesch, M. A. Mroginski Journal of Physical Chemistry Letters 2010, 1, 2159 - 2164, |
| 523 Molecular dynamics of phycocyanobilin binding bacteriophytochromes: a detailed study of structural and dynamic properties S. Kaminski, M. A. Mroginski Journal of Physical Chemistry B 2010, 114, 16677 - 16686, |
| 501 Elucidating photoinduced structural changes in phytochromes by the combined 3 application of resonance Raman spectroscopy and theoretical methods M. A. Mroginski, D. von Stetten, S. Kaminski, F. Velazquez Escobar, N. Michael, G. Daminelli-Widany, P. Hildebrandt Journal of Molecular Structure 2011, 993, 15 - 25, 10.1016/j.molstruc.2011.02.038 |
| 497 Structure of the Chromophore Binding Pocket in the Pr State of Plant Phytochrome phyA M. A. Mroginski, S. Kaminski, D. von Stetten, S. Ringsdorf, W. Gärtner, L. O. Essen, P. Hildebrandt Journal of Physical Chemistry B 2011, 115, 1220 - 1231, |
| 492 Redox properties and catalytic activity of surface-bound human sulfite oxidase studied by a combined surface enhanced resonance Raman spectroscopic and electrochemical approach M. Sezer, R. Spricigo, T. Utesch, D. Millo, S. Leimkühler, M. A. Mroginski, U. Wollenberger, P. Hildebrandt, I. Weidinger Physical Chemistry Chemical Physics 2010, 12, 7894 - 7903, |
| 286 The anomaly of the nu-1 resonance Raman band of beta-carotene in solution and in photosystems I and II N. Tschirner, M. Schenderlein, A. Zouni, E. Schlodder, M. A. Mroginski, P. Hildebrandt, C. Thomsen Physica Status Solidi B-Basic Solid State Physics 2009, 246, 2790 - 2793, 10.1002/pssb.200982299 |
| 285 Vibrational Raman Spectra from the Self Consistent Charge Density Functional Tight Binding Method via classical Time-correlation functions S. Kaminski, M. Gaus, P. Phatak, D. von Stetten, M. Elstner, M. A. Mroginski Journal of Chemical Theory and Computation 2010, 6, 1240 - 1255, 10.1021/ct900660x |
| 283 Resonance Raman spectra of beta-carotene in solution and in photosystems revisited: an experimental and theoretical study N. Tschirner, M. Schenderlein, K. Brose, E. Schlodder, M. A. Mroginski, C. Thomsen, P. Hildebrandt Physical Chemistry Chemical Physics 2009, 11, 11471 - 11478, 10.1039/b917341b |
| 280 Spectroelectrochemical Study of the [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F in Solution and immobilized on biocompatible Gold surfaces D. Millo, M. E. Pandelia, T. Utesch, N. Wisitruangsakul, M. A. Mroginski, W. Lubitz, P. Hildebrandt, I. Zebger Journal of Physical Chemistry B 2009, 113, 15344 - 15351, 10.1021/jp906575r |
| 82 Molecular dynamics simulations of the chromophore binding site of Deinococcus radiodurans bacteriophytochrome using new force field parameters for the phytochromobilin chromophore M. A. Mroginski, G. Daminelli, S. Kaminski Journal of Physical Chemistry B 2009, 113, 945 - 958, 10.1021/jp8047532 |
| 61 Resonanz-Raman-spektroskopische Untersuchung der Chromophorheterogeneität und Photokonversion von Phytochromkristallen und -lösungen D. von Stetten, M. Günther, P. Scheerer, D. H. Murgida, M. A. Mroginski, N. Krauss, T. Lamparter, J. Zhang, D. M. Anstrom, R. D. Vierstra, K. T. Forest, P. Hildebrandt Angewandte Chemie 2008, 120, 4831 - 4833, 10.1002/ange.200705716 |
| 60 Chromophore heterogeneity and photoconversion in phytochrome crystals and solutions studied by resonance Raman spectroscopy D. von Stetten, M. Günther, P. Scheerer, D. H. Murgida, M. A. Mroginski, N. Krauss, T. Lamparter, J. Zhang, D. M. Anstrom, R. D. Vierstra, K. T. Forest, P. Hildebrandt Angewandte Chemie International Edition 2008, 47, 4753 - 4755, 10.1002/anie.200705716 |
| 55 Raman excitation profiles of ß-carotene - novel insights into the nature of the nu(1)band N. Tschirner, M. Schenderlein, K. Brose, E. Schlodder, M. A. Mroginski, P. Hildebrandt, C. Thomsen Physica Status Solidi B-Basic Solid State Physics 2008, 245, 2225 - 2228, 10.1002/pssb.200879649 |
| 54 Gated electron transfer of yeast iso-1 cytochrome c on SAM-coated electrodes J. Feng, D. H. Murgida, T. Utesch, M. A. Mroginski, P. Hildebrandt, I. M. Weidinger Journal of Physical Chemistry B 2008, 112, 15202 - 15211, 10.1021/jp8062383 |
| 45 Elucidation of the chromophore structure in phytochrome - a combined resonance Raman spectroscopic and theoretical approach D. von Stetten, M. Günther, S. Kaminski, P. Scheerer, N. Krauss, T. Lamparter, K. T. Forest, R. D. Vierstra, W. Gärtner, D. H. Murgida, M. A. Mroginski, P. Hildebrandt Proceedings of the XXIst International Conference on Raman Spectroscopy Rob Withnall, Babur Z. Chowdhry IM Publications, Charlton, Chichester 2008, 0, 127 - 129, |
| 39 Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: reconciling structural and spectroscopic data by QM/MM calculations M. A. Mroginski, D. von Stetten, F. Velazquez Escobar, H. M. Strauss, S. Kaminski, P. Scheerer, M. Günther, D. H. Murgida, P. Schmieder, C. Bongards, W. Gärtner, J. Maillet, J. Hughes, L. O. Essen, P. Hildebrandt Biophysical Journal 2009, 96, 4153 - 4163, 10.1016/j.bpj.2009.02.029 |
