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Modellierung biomolekularer SystemePublikationen

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Publikationen

2015

Structure and dynamics of lantibiotics by molecular dynamics simulations: a fundamental approach towards antimicrobial activity

de Miguel, A., Utesch, T. and Mroginski, M. A.

European Biophysics Journal With Biophysics Letters 44, S183–S183. 2015

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Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O-2-Tolerant Membrane-Bound Hydrogenase in the Crystalline State

Siebert, E., Rippers, Y., Frielingsdorf, S., Fritsch, J., Schmidt, A., Kalms, J., Katz, S., Lenz, O., Scheerer, P., Paasche, L., Pelmenschikov, V., Kuhlmann, U., Mroginski, M. A., Zebger, I. and Hildebrandt, P.

Journal of Physical Chemistry B 119, 13785–13796. 2015

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Conformational heterogeneity of the Pfr chromophore in plant and cyanobacterial phytochromes.

Velazquez Escobar, F., von Stetten, D., Gunther-Lutkens, M., Keidel, A., Michael, N., Lamparter, T., Essen, L.-O., Hughes, J., Gartner, W., Yang, Y., Heyne, K., Mroginski, M. A. and Hildebrandt, P.

Frontiers in molecular biosciences 2, 37–37. 2015

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2014

Metal-induced histidine deprotonation in biocatalysis? Experimental and theoretical insights into superoxide reductase

Horch, M., Pinto, A. F., Mroginski, M. A., Teixeira, M., Hildebrandt, P. and Zebger, I.

Rsc Advances 4, 54091–54095. 2014

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Reductive activation and structural rearrangement in superoxide reductase: a combined infrared spectroscopic and computational study

Horch, M., Pinto, A. F., Utesch, T., Mroginski, M. A., Romao, C. V., Teixeira, M., Hildebrandt, P. and Zebger, I.

Physical Chemistry Chemical Physics 16, 14220–14230. 2014

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Resonance Raman Spectroscopy on [NiFe] Hydrogenase Provides Structural Insights into Catalytic Intermediates and Reactions

Horch, M., Schoknecht, J., Mroginski, M. A., Lenz, O., Hildebrandt, P. and Zebger, I.

Journal of the American Chemical Society 136, 9870–9873. 2014

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Structural Parameters Controlling the Fluorescence Properties of Phytochromes

Velazquez Escobar, F., Hildebrandt, T., Utesch, T., Schmitt, F. J., Seuffert, I., Michael, N., Schulz, C., Mroginski, M. A., Friedrich, T. and Hildebrandt, P.

Biochemistry 53, 20-29. 2014

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2013

The Linker Pivot in Ci-VSP: The Key to Unlock Catalysis

Hobiger, ,. K. A. U. ,. T. A. M. ,. M. A. A. S. ,. G. A. F. ,. T.

PLoS ONE 8, e70272. 2013

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Photoconversion Mechanism of the Second GAF Domain of Cyanobacteriochrome AnPixJ and the Cofactor Structure of Its Green-Absorbing State

Velazquez Escobar, F., Utesch, T., Narikawa, R., Ikeuchi, M., Mroginski, M. A., Gärtner, W. and Hildebrandt, P.

Biochemistry 52, 4871-4880. 2013

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Simulations of the polarisation-dependent Raman intensity of -carotene in photosystem \II\ crystals

Brose, K., Zouni, A., Müh, F., Mroginski, M. and Maultzsch, J.

Chemical Physics 418, 65 - 73. 2013

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