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Modeling of biomolecular systemsPublications

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J

Light-induced proton release of phytochrome is coupled to the transient deprotonation of the tetrapyrrole chromophore

Borucki, B., von Stetten, D., Seibeck, S., Lamparter, T., Michael, N., Mroginski, M. A., Otto, H., Murgida, D. H., Heyn, M. P. and Hildebrandt, P.

Journal Of Biological Chemistry 280, 34358–34364. 2005

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Highly conserved residues Asp-197 and His-250 in Agp1 phytochrome control the proton affinity of the chromophore and Pfr formation

von Stetten, D., Seibeck, S., Michael, N., Scheerer, P., Mroginski, M. A., Murgida, D. H., Krauss, N., Heyn, M. P., Hildebrandt, P., Borucki, B. and Lamparter, T.

Journal Of Biological Chemistry 282, 2116–2123. 2007

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Characterization of two thermostable cyanobacterial phytochromes reveals global movements in the chromophore-binding domain during photoconversion

Ulijasz, A. T., Cornilescu, G., von Stetten, D., Kaminski, S., Mroginski, M. A., Zhang, J. R., Bhaya, D., Hildebrandt, P. and Vierstra, R. D.

Journal Of Biological Chemistry 283, 21251–21266. 2008

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F

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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E

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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C


Raman Spectra of the Phycoviolobilin Cofactor in Phycoerythrocyanin Calculated by QM/MM Methods

Mroginski, M. A., Kaminski, S. and Hildebrandt, P.

CHEMPHYSCHEM 11, 1265-1274. 2010

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Revealing the Absolute Configuration of the CO and CN− Ligands at the Active Site of a [NiFe] Hydrogenase

Rippers, Y., Horch, M., Hildebrandt, P., Zebger, I. and Mroginski, M. A.

ChemPhysChem 13, 3852–3856. 2012

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Surface-Tuned Electron Transfer and Electrocatalysis of Hexameric Tyrosine-Coordinated Heme Protein

Peng, L., Utesch, T., Yarman, A., Jeoung, J. H., Steinborn, S., Dobbek, H., Mroginski, M. A., Tanne, J., Wollenberger, U. and Scheller, F. W.

Chemistry-a European Journal 21, 7596–7602. 2015

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When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase

Ciaccafava, A., Tombolelli, D., Domnik, L., Fesseler, J., Jeoung, J. H., Dobbek, H., Mroginski, M. A., Zebger, I. and Hildebrandt, P.

Chemical Science 7, 3162–3171. 2016

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