M. Mroginski

发表

Domain motions and electron transfer dynamics in 2Fe-superoxide reductase.

P. Hildebrandt, I. Zebger, M. Horch, 2016, Physical chemistry chemical physics : PCCP.

Spectroelectrochemical study of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F in solution and immobilized on biocompatible gold surfaces.

Wolfgang Lubitz, Peter Hildebrandt, W. Lubitz, 2009, The journal of physical chemistry. B.

3D Structures of Plant Phytochrome A as Pr and Pfr From Solid-State NMR: Implications for Molecular Function

J. Hughes, W. Gärtner, C. Lang, 2018, Front. Plant Sci..

Conformational heterogeneity of the Pfr chromophore in plant and cyanobacterial phytochromes

J. Hughes, T. Lamparter, W. Gärtner, 2015, Front. Mol. Biosci..

Structure of the Biliverdin Cofactor in the Pfr State of Bathy and Prototypical Phytochromes*

P. Scheerer, T. Lamparter, W. Gärtner, 2013, The Journal of Biological Chemistry.

Light-induced Proton Release of Phytochrome Is Coupled to the Transient Deprotonation of the Tetrapyrrole Chromophore*[boxs]

T. Lamparter, D. von Stetten, M. P. Heyn, 2005, Journal of Biological Chemistry.

On the pH-Modulated Ru-Based Prodrug Activation Mechanism.

A. Vergara, A. Merlino, M. Caterino, 2019, Inorganic chemistry.

The protonation state of Glu181 in rhodopsin revisited: interpretation of experimental data on the basis of QM/MM calculations.

M. Elstner, M. Wanko, P. Phatak, 2010, The journal of physical chemistry. B.

Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS‐CoV‐2

M. Mroginski, K. Ebrahimi, J. Dragelj, 2021, Chembiochem : a European journal of chemical biology.

Common Structural Elements in the Chromophore Binding Pocket of the Pfr State of Bathy Phytochromes

T. Friedrich, P. Scheerer, F. Siebert, 2017, Photochemistry and photobiology.

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

M. Teixeira, P. Hildebrandt, I. Zebger, 2014 .

Switchable Redox Chemistry of the Hexameric Tyrosine-Coordinated Heme Protein.

H. Dobbek, I. Weidinger, P. Kielb, 2017, The journal of physical chemistry. B.

Structure, dynamics and kinetics of two-component Lantibiotic Lichenicidin

R. Tapia-Rojo, T. Utesch, M. Mroginski, 2017, PloS one.

Reversible active site sulfoxygenation can explain the oxygen tolerance of a NAD+-reducing [NiFe] hydrogenase and its unusual infrared spectroscopic properties.

O. Lenz, P. Hildebrandt, I. Zebger, 2015, Journal of the American Chemical Society.

Combining spectroscopy and theory to evaluate structural models of metalloenzymes: a case study on the soluble [NiFe] hydrogenase from Ralstonia eutropha.

P. Hildebrandt, I. Zebger, M. Horch, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Carbon Monoxide Dehydrogenase Reduces Cyanate to Cyanide.

H. Dobbek, I. Zebger, A. Ciaccafava, 2017, Angewandte Chemie.

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

J. Maultzsch, A. Zouni, F. Müh, 2013 .

Ultrafast proton-coupled isomerization in the phototransformation of phytochrome

T. Stensitzki, A. Schmidt, M. Szczepek, 2022, Nature Chemistry.

Resonance Raman spectroscopy as a tool to monitor the active site of hydrogenases.

S. Frielingsdorf, O. Lenz, P. Hildebrandt, 2013, Angewandte Chemie.

Mapping local electric fields in proteins at biomimetic interfaces.

G. Rákhely, P. Hildebrandt, I. Zebger, 2012, Chemical communications.

Halogenation of tyrosine perturbs large-scale protein self-organization

P. Schwille, N. Budisa, V. Kubyshkin, 2022, Nature Communications.

Infrared spectrum of phosphoenol pyruvate: computational and experimental studies.

M. Blomberg, Saroj Kumar, A. Barth, 2009, The journal of physical chemistry. A.

Redox induced protonation of heme propionates in cytochrome c oxidase: Insights from surface enhanced resonance Raman spectroscopy and QM/MM calculations.

E. Knapp, R. Schlesinger, I. Weidinger, 2017, Biochimica et biophysica acta. Bioenergetics.

The Molybdenum Active Site of Formate Dehydrogenase Is Capable of Catalyzing C-H Bond Cleavage and Oxygen Atom Transfer Reactions.

T. Hartmann, M. Haumann, S. Leimkühler, 2016, Biochemistry.

Structural and electronic properties of the active site of [ZnFe] SulE

M. Mroginski, Yvonne Rippers, N. Elghobashi-Meinhardt, 2022, Frontiers in Molecular Biosciences.

The anomaly of the $\nu$1‐resonance Raman band of bβ‐carotene in solution and in photosystem I and II

C. Thomsen, A. Zouni, E. Schlodder, 2009 .

Excited state geometry calculations and the resonance Raman spectrum of hexamethylpyrromethene

P. Hildebrandt, F. Mark, M. Mroginski, 2003 .

Gated electron transfer of yeast iso-1 cytochrome c on self-assembled monolayer-coated electrodes.

P. Hildebrandt, Jiu-Ju Feng, D. Murgida, 2008, The journal of physical chemistry. B.

Elucidating photoinduced structural changes in phytochromes by the combined application of resonance Raman spectroscopy and theoretical methods

N. Michael, P. Hildebrandt, M. Mroginski, 2011 .

The Photoreactions of Recombinant Phytochrome CphA from the Cyanobacterium Calothrix PCC7601: A Low‐Temperature UV–Vis and FTIR Study

W. Gärtner, P. Hildebrandt, P. Schwinté, 2009, Photochemistry and photobiology.

Spectroscopic, structural, and conformational properties of (Z)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-1-(2-hydroxyphenyl)-2-buten-1-one, C12H12F3NO3: a trifluoromethyl-substituted β-aminoenone.

S. Ulic, E. Castellano, J. Jios, 2012, The journal of physical chemistry. A.

Revealing the absolute configuration of the CO and CN- ligands at the active site of a [NiFe] hydrogenase.

P. Hildebrandt, I. Zebger, M. Horch, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Structure of the Full-Length Bacteriophytochrome from the Plant Pathogen Xanthomonas campestris Provides Clues to its Long-Range Signaling Mechanism.

A. Vojnov, H. R. Bonomi, F. Goldbaum, 2016, Journal of molecular biology.

Molecular dynamics of phycocyanobilin binding bacteriophytochromes: a detailed study of structural and dynamic properties.

M. Mroginski, Steve Kaminski, 2010, The journal of physical chemistry. B.

Comparison of molybdenum and rhenium oxo bis-pyrazine-dithiolene complexes - in search of an alternative metal centre for molybdenum cofactor models.

I. Zebger, C. Schulzke, M. Mroginski, 2019, Dalton transactions.

Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase

A. Nguyen, J. Heberle, R. Schlesinger, 2020, Scientific Reports.

The chromophore structural changes during the photocycle of phytochrome: a combined resonance Raman and quantum chemical approach.

P. Hildebrandt, D. Murgida, M. Mroginski, 2007, Accounts of chemical research.

Adsorption of sulfite oxidase on self-assembled monolayers from molecular dynamics simulations.

Murat Sezer, I. Weidinger, Murat Sezer, 2012, Langmuir : the ACS journal of surfaces and colloids.

Three-Dimensional Structural Model of Chicken Liver Sulfite Oxidase in its Activated Form

T. Utesch, M. Mroginski, 2010 .

Redox properties and catalytic activity of surface-bound human sulfite oxidase studied by a combined surface enhanced resonance Raman spectroscopic and electrochemical approach.

U. Wollenberger, P. Hildebrandt, I. Weidinger, 2010, Physical chemistry chemical physics : PCCP.

A Computational Modeling Approach Predicts Interaction of the Antifungal Protein AFP from Aspergillus giganteus with Fungal Membranes via Its γ-Core Motif

P. Schmieder, J. Mccammon, E. Krause, 2018, mSphere.

Tuning the Quantum Chemical Properties of Flavins via Modification at C8.

R. Kar, Anne‐Frances Miller, M. Mroginski, 2021, The journal of physical chemistry. B.

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

M. Teixeira, P. Hildebrandt, I. Zebger, 2014, Physical chemistry chemical physics : PCCP.

Resonance Raman spectra of beta-carotene in solution and in photosystems revisited: an experimental and theoretical study.

C. Thomsen, E. Schlodder, P. Hildebrandt, 2009, Physical chemistry chemical physics : PCCP.

Calculation of the Vibrational Spectra of Linear Tetrapyrroles. 2. Resonance Raman Spectra of Hexamethylpyrromethene Monomers

K. Németh, C. Védova, I. Magdó, 2000 .

The Lumi-R Intermediates of Prototypical Phytochromes.

T. Friedrich, J. Hughes, P. Scheerer, 2020, The journal of physical chemistry. B.

Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome

E. Knapp, T. Stensitzki, J. Hughes, 2017, Photochemistry and photobiology.

Photoconversion mechanism of the second GAF domain of cyanobacteriochrome AnPixJ and the cofactor structure of its green-absorbing state.

M. Ikeuchi, R. Narikawa, W. Gärtner, 2013, Biochemistry.

Mutational Analysis of Deinococcus radiodurans Bacteriophytochrome Reveals Key Amino Acids Necessary for the Photochromicity and Proton Exchange Cycle of Phytochromes*

Katrina T Forest, Richard D Vierstra, R. Vierstra, 2008, Journal of Biological Chemistry.

Molecular dynamics simulations of the adsorption of bone morphogenetic protein-2 on surfaces with medical relevance.

Grazia Daminelli, Maria Andrea Mroginski, Tillmann Utesch, 2011, Langmuir : the ACS journal of surfaces and colloids.

Photoinduced reaction mechanisms in prototypical and bathy phytochromes.

P. Scheerer, H. R. Bonomi, N. Michael, 2022, Physical chemistry chemical physics : PCCP.

Structural snapshot of a bacterial phytochrome in its functional intermediate state

A. Schmidt, M. Szczepek, P. Scheerer, 2018, Nature Communications.

Highly Conserved Residues Asp-197 and His-250 in Agp1 Phytochrome Control the Proton Affinity of the Chromophore and Pfr Formation*

P. Scheerer, N. Krauß, T. Lamparter, 2007, Journal of Biological Chemistry.

Local Electric Field Changes during the Photoconversion of the Bathy Phytochrome Agp2.

P. Scheerer, N. Budisa, I. Zebger, 2021, Biochemistry.

Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level

L. Chavas, L. Defelipe, H. R. Bonomi, 2021, bioRxiv.

Intramolecular Proton Transfer Controls Protein Structural Changes in Phytochrome.

T. Stensitzki, A. Schmidt, P. Scheerer, 2020, Biochemistry.

The role of the propionic side chains for the photoconversion of bacterial phytochromes.

P. Scheerer, W. Gärtner, A. Nguyen, 2019, Biochemistry.

Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1

E. Knapp, A. Woelke, P. Hildebrandt, 2017, Photochemistry and photobiology.

Protonation-Dependent Structural Heterogeneity in the Chromophore Binding Site of Cyanobacterial Phytochrome Cph1.

J. Hughes, C. Lang, U. Alexiev, 2017, The journal of physical chemistry. B.

Structural parameters controlling the fluorescence properties of phytochromes.

T. Friedrich, P. Hildebrandt, F. Schmitt, 2014, Biochemistry.

FTIR study of the photoinduced processes of plant phytochrome phyA using isotope-labeled bilins and density functional theory calculations.

W. Gärtner, P. Hildebrandt, P. Schwinté, 2008, Biophysical journal.

Quantum mechanics/molecular mechanics calculation of the Raman spectra of the phycocyanobilin chromophore in alpha-C-phycocyanin.

W. Thiel, P. Hildebrandt, F. Mark, 2007, Biophysical journal.

The C-Terminal VPRTES Tail of LL-37 Influences the Mode of Attachment to a Lipid Bilayer and Antimicrobial Activity.

T. Gutsmann, C. Nehls, Laura Paulowski, 2019, Biochemistry.

Monitoring the Orientational Changes of Alamethicin during Incorporation into Bilayer Lipid Membranes.

Johannes Salewski, J. Staffa, P. Hildebrandt, 2018, Langmuir : the ACS journal of surfaces and colloids.

Understanding flavin electronic structure and spectra

R. Kar, Anne‐Frances Miller, M. Mroginski, 2021, WIREs Computational Molecular Science.

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

Jae-Hun Jeoung, Holger Dobbek, H. Dobbek, 2016, Chemical science.

The role of local and remote amino acid substitutions for optimizing fluorescence in bacteriophytochromes: A case study on iRFP

T. Friedrich, F. Schmitt, L. Sauthof, 2016, Scientific Reports.

Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster

M. Mroginski, N. Elghobashi-Meinhardt, Daria Tombolelli, 2021, Catalysts.

Surface-tuned electron transfer and electrocatalysis of hexameric tyrosine-coordinated heme protein.

Lei Peng, Ulla Wollenberger, Frieder W Scheller, 2015, Chemistry.

Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase

A. Schmidt, S. Frielingsdorf, O. Lenz, 2018, Proceedings of the National Academy of Sciences.

Integrated Approaches Toward High‐Affinity Artificial Protein Binders Obtained via Computationally Simulated Epitopes for Protein Recognition

F. Scheller, Z. Altintas, Bianca Schmid, 2019, Advanced Functional Materials.

Vibrational Properties of InSe under Pressure: Experiment and Theory

A. Goñi, A. Cantarero, V. Muñoz, 1996 .

In Situ Spectroelectrochemical Studies into the Formation and Stability of Robust Diazonium-Derived Interfaces on Gold Electrodes for the Immobilization of an Oxygen-Tolerant Hydrogenase.

S. Frielingsdorf, O. Lenz, P. Hildebrandt, 2018, ACS applied materials & interfaces.

Catalytic Activity and Proton Translocation of Reconstituted Respiratory Complex I Monitored by Surface-Enhanced Infrared Absorption Spectroscopy.

Manuela M. Pereira, A. P. Batista, I. Zebger, 2018, Langmuir : the ACS journal of surfaces and colloids.

Noncovalent interactions that tune the reactivities of the flavins in bifurcating electron transferring flavoprotein

R. Kar, Anne‐Frances Miller, M. Mroginski, 2023, The Journal of biological chemistry.

The chromophore structures of the Pr States in plant and bacterial phytochromes.

W. Gärtner, P. Hildebrandt, D. von Stetten, 2007, Biophysical Journal.

Structure of the chromophore binding pocket in the Pr state of plant phytochrome phyA.

W. Gärtner, D. von Stetten, L. Essen, 2011, The journal of physical chemistry. B.

Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: reconciling structural and spectroscopic data by QM/MM calculations.

P. Schmieder, J. Hughes, P. Scheerer, 2009, Biophysical journal.

Characterization of Two Thermostable Cyanobacterial Phytochromes Reveals Global Movements in the Chromophore-binding Domain during Photoconversion*

Steve Kaminski, Gabriel Cornilescu, Richard D Vierstra, 2008, Journal of Biological Chemistry.

Chromophore heterogeneity and photoconversion in phytochrome crystals and solution studied by resonance Raman spectroscopy.

R. Vierstra, P. Scheerer, N. Krauß, 2008, Angewandte Chemie.

Calculation of vibrational spectra of linear tetrapyrroles. 4. Methine bridge C-H out-of-plane modes.

P. Hildebrandt, D. Murgida, M. Mroginski, 2006, The journal of physical chemistry. A.

Calculation of vibrational spectra of linear tetrapyrroles. 3. Hydrogen-bonded hexamethylpyrromethene dimers.

P. Hildebrandt, K. Németh, R. Goddard, 2005, The journal of physical chemistry. A.

Determination of the chromophore structures in the photoinduced reaction cycle of phytochrome.

Peter Hildebrandt, P. Hildebrandt, D. von Stetten, 2004, Journal of the American Chemical Society.

Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O2-Tolerant Membrane-Bound Hydrogenase in the Crystalline State.

A. Schmidt, S. Frielingsdorf, O. Lenz, 2015, The journal of physical chemistry. B.

Dynamic Nuclear Polarization Provides New Insights into Chromophore Structure in Phytochrome Photoreceptors.

H. Oschkinat, J. Hughes, S. Sigurdsson, 2016, Angewandte Chemie.

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

T. Friedrich, G. Seebohm, Kirstin Hobiger, 2013, PloS one.

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

O. Lenz, P. Hildebrandt, A. Fischer, 2015, PloS one.

Role of the HoxZ subunit in the electron transfer pathway of the membrane-bound [NiFe]-hydrogenase from Ralstonia eutropha immobilized on electrodes.

S. Frielingsdorf, P. Hildebrandt, I. Zebger, 2011, The journal of physical chemistry. B.

Effect of the protonation degree of a self-assembled monolayer on the immobilization dynamics of a [NiFe] hydrogenase.

Maria Ana Castro, Peter Hildebrandt, P. Hildebrandt, 2013, Langmuir : the ACS journal of surfaces and colloids.

Coupling of Ci-VSP modules requires a combination of structure and electrostatics within the linker.

T. Friedrich, Kirstin Hobiger, T. Utesch, 2012, Biophysical journal.

Frontiers in Multiscale Modeling of Photoreceptor Proteins

Jógvan Magnus Haugaard Olsen, Y. M. Rhee, N. Ferré, 2020, Photochemistry and photobiology.

Molecular dynamics simulations of the chromophore binding site of Deinococcus radiodurans bacteriophytochrome using new force field parameters for the phytochromobilin chromophore.

M. Mroginski, Steve Kaminski, G. Daminelli, 2009, The journal of physical chemistry. B.

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

P. Hildebrandt, Junjie Zhao, S. Franzen, 2013, Biochemical and biophysical research communications.

A Resonance Raman Marker Band Characterizes the Slow and Fast Form of Cytochrome c Oxidase.

A. Nguyen, J. Heberle, I. Weidinger, 2021, Journal of the American Chemical Society.

Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling*

D. von Stetten, L. Essen, M. Mroginski, 2013, The Journal of Biological Chemistry.

, Signaling Tryptophan Switch for Phytochrome Phytochrome 2 Photosensor Implies a Structure of the Cyanobacterial Protein Structure and Folding

L. Essen, M. Mroginski, D. Stetten, 2013 .

Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator

S. Sacquin-Mora, O. Lenz, I. Zebger, 2023, Frontiers in Microbiology.

Beating Heart of Cytochrome c Oxidase: The Shared Proton of Heme a3 Propionates.

E. Knapp, M. Mroginski, J. Dragelj, 2021, The journal of physical chemistry. B.

Proton Transfer Pathways between Active Sites and Proximal Clusters in the Membrane-Bound [NiFe] Hydrogenase.

M. Mroginski, Daria Tombolelli, 2019, The journal of physical chemistry. B.

Radical-SAM dependent nucleotide dehydratase (SAND), rectification of the names of an ancient iron-sulfur enzyme using NC-IUBMB recommendations

H. Stark, W. Hagen, M. Piccioli, 2022, Frontiers in Molecular Biosciences.

Probing the Structure of [NiFeSe] Hydrogenase with QM/MM Computations

M. Mroginski, N. Elghobashi-Meinhardt, Daria Tombolelli, 2020, Applied Sciences.

Insights into the structure of the active site of the O2-tolerant membrane bound [NiFe] hydrogenase of R. eutropha H16 by molecular modelling.

P. Hildebrandt, I. Zebger, T. Utesch, 2011, Physical chemistry chemical physics : PCCP.

Low Quantum Yield Electron Transfer Pathways in PSII

E. Schlodder, M. Schenderlein, M. Mroginski, 2008 .

Ultrafast proton release reaction and primary photochemistry of phycocyanobilin in solution observed with fs-time-resolved mid-IR and UV/Vis spectroscopy

T. Lamparter, R. Diller, M. Mroginski, 2021, Photochemical & Photobiological Sciences.

Resonance Raman spectroscopy on [NiFe] hydrogenase provides structural insights into catalytic intermediates and reactions.

O. Lenz, P. Hildebrandt, I. Zebger, 2014, Journal of the American Chemical Society.

Dynamic Properties of the Photosensory Domain of Deinococcus Radiodurans Bacteriophytochrome.

I. Schapiro, Ronald González, M. Mroginski, 2020, The journal of physical chemistry. B.

Fully Quantum Chemical Treatment of Chromophore-Protein Interactions in Phytochromes.

Ronald González, M. Mroginski, 2019, The journal of physical chemistry. B.

Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase

A. Nguyen, J. Heberle, R. Schlesinger, 2020, Scientific Reports.

QM/MM computations reveal details of the acetyl-CoA synthase catalytic center.

M. Mroginski, N. Elghobashi-Meinhardt, Daria Tombolelli, 2020, Biochimica et biophysica acta. General subjects.

Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.

P. Rodziewicz, Anna Kaczmarek-Kȩdziera, T. Utesch, 2018, Physical chemistry chemical physics : PCCP.

Structural snapshot of a bacterial phytochrome in its functional intermediate state

A. Schmidt, M. Szczepek, P. Scheerer, 2018, Nature Communications.

Real-time observation of tetrapyrrole binding to an engineered bacterial phytochrome

V. Verkhusha, D. Shcherbakova, J. Kennis, 2021, Communications Chemistry.

Ultrafast protein response in the Pfr state of Cph1 phytochrome

T. Stensitzki, J. Hughes, C. Lang, 2023, Photochemical & Photobiological Sciences.

Red, orange, green: Light- and Temperature-dependent Color Tuning in a Cyanobacteriochrome.

T. Friedrich, P. Hildebrandt, F. Schmitt, 2019, Biochemistry.

Infrared Spectroscopy Elucidates the Inhibitor Binding Sites in a Metal‐Dependent Formate Dehydrogenase

S. Leimkühler, I. Zebger, Benjamin R. Duffus, 2022, Chemistry.

Molecular dynamics simulations of the adsorption of bone morphogenetic protein-2 on surfaces with medical relevance.

T. Utesch, M. Mroginski, G. Daminelli, 2011, Langmuir : the ACS journal of surfaces and colloids.

Protonation of Pendant Pyridine Substituents in an Iron Porphyrin Hangman Complex: Influence on Spectral Visibility and Electrocatalysis

I. Weidinger, K. Ly, M. Schwalbe, 2024, The Journal of Physical Chemistry C.

Quantum mechanics/molecular mechanics calculation of the Raman spectra of the phycocyanobilin chromophore in alpha-C-phycocyanin.

W. Thiel, P. Hildebrandt, F. Mark, 2007, Biophysical journal.