TU Berlin

Modeling of biomolecular systemsPublications

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Publications

2012

Spectroscopic, Structural, and Conformational Properties of (Z)-4,4, 4-Trifluoro-3-(2-hydroxyethylamino)-1-(2-hydroxypheny1)-2-buten-1-one, C12H12F3NO3: A Trifluoromethyl-Substituted beta-Aminoenone

Hidalgo, A., Avendano Jimenez, L. P., Ramos, L. A., Mroginski, M. A., Jios, J. L., Ulic, S. E., Echeverria, G. A., Piro, O. E. and Castellano, E.

JOURNAL OF PHYSICAL CHEMISTRY A 116, 1110-1118. 2012

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Coupling of Ci-VSP Modules Requires a Combination of Structure and Electrostatics within the Linker

Hobiger, K., Utesch, T., Mroginski, M. A. and Friedrich, T.

BIOPHYSICAL JOURNAL 102, 1313-1322. 2012

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Adsorption of Sulfite Oxidase on Self-Assembled Mono layers from Molecular Dynamics Simulations

Utesch, T., Sezer, M., Weidinger, I. M. and Mroginski, M. A.

LANGMUIR 28, 5761-5769. 2012

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2013

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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Catalytic efficiency of dehaloperoxidase A is controlled by electrostatics – application of the vibrational Stark effect to understand enzyme kinetics

Schkolnik, G., Utesch, T., Zhao, J., Jiang, S., Thompson, M. K., Mroginski, M.-A., Hildebrandt, P. and Franzen, S.

Biochemical and Biophysical Research Communications 430, 1011 - 1015. 2013

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Resonance Raman Spectroscopy as a Tool to Monitor the Active Site of Hydrogenases

Siebert, E., Horch, M., Rippers, Y., Fritsch, J., Frielingsdorf, S., Lenz, O., Velazquez Escobar, F., Siebert, F., Paasche, L., Kuhlmann, U., Lendzian, F., Mroginski, M.-A., Zebger, I. and Hildebrandt, P.

Angewandte Chemie International Edition 52, 5162–5165. 2013

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Effect of the Protonation Degree of a Self-Assembled Monolayer on the Immobilization Dynamics of a [NiFe] Hydrogenase

Utesch, T., Millo, D., Castro, M. A., Hildebrandt, P., Zebger, I. and Mroginski, M. A.

Langmuir 29, 673-682. 2013

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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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