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Modeling of biomolecular systemsPublications

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Publications

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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2015

A protonation-coupled feedback mechanism controls the signalling process in bathy phytochromes

Escobar, F. V., Piwowarski, P., Salewski, J., Michael, N., Lopez, M. F., Rupp, A., Qureshi, B. M., Scheerer, P., Bartl, F., Frankenberg-Dinkel, N., Siebert, F., Mroginski, M. A. and Hildebrandt, P.

Nature Chemistry 7, 423–430. 2015

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Orientation-Controlled Electrocatalytic Efficiency of an Adsorbed Oxygen-Tolerant Hydrogenase

Heidary, N., Utesch, T., Zerball, M., Horch, M., Millo, D., Fritsch, J., Lenz, O., von Klitzing, R., Hildebrandt, P., Fischer, A., Mroginski, M. A. and Zebger, I.

Plos One 10, e0143101. 2015

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Reversible Active Site Sulfoxygenation Can Explain the Oxygen Tolerance of a NAD(+)-Reducing [NiFe] Hydrogenase and Its Unusual Infrared Spectroscopic Properties

Horch, M., Lauterbach, L., Mroginski, M. A., Hildebrandt, P., Lenz, O. and Zebger, I.

Journal of the American Chemical Society 137, 2555–2564. 2015

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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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