Modellierung biomolekularer Systeme
Publikationen
Laun,
Konstantin;
Duffus,
Benjamin R.;
Wahlefeld,
Stefan;
Katz,
Sagie;
Belger,
Dennis;
Hildebrandt,
Peter;
Mroginski,
Maria Andrea;
Leimkuehler,
Silke;
Zebger,
Ingo
Infrared Spectroscopy Elucidates the Inhibitor Binding Sites in a Metal-Dependent Formate Dehydrogenase
CHEMISTRY-A EUROPEAN JOURNAL
ISSN: 0947-6539
Infrared Spectroscopy Elucidates the Inhibitor Binding Sites in a Metal-Dependent Formate Dehydrogenase
CHEMISTRY-A EUROPEAN JOURNAL
ISSN: 0947-6539
2022
Ji,
Yuxuan;
Wei,
Li;
Da,
Anqi;
Stark,
Holger;
Hagedoorn,
Peter-Leon;
Ciofi-Baffoni,
Simone;
Cowley,
Sally A.;
Louro,
Ricardo O.;
Todorovic,
Smilja;
Mroginski,
Maria Andrea;
Nicolet,
Yvain;
Roessler,
Maxie M.;
Le Brun,
Nick E.;
Piccioli,
Mario;
James,
William S.;
Hagen,
Wilfred R.;
Ebrahimi,
Kourosh H.
Radical-SAM dependent nucleotide dehydratase (SAND), rectification of the names of an ancient iron-sulfur enzyme using NC-IUBMB recommendations
FRONTIERS IN MOLECULAR BIOSCIENCES, 9
Oktober 2022
Radical-SAM dependent nucleotide dehydratase (SAND), rectification of the names of an ancient iron-sulfur enzyme using NC-IUBMB recommendations
FRONTIERS IN MOLECULAR BIOSCIENCES, 9
Oktober 2022
Moubarak,
Samah;
Rippers,
Yvonne;
Elghobashi-Meinhardt,
Nadia;
Mroginski,
Maria Andrea
Structural and electronic properties of the active site of [ZnFe] SulE
FRONTIERS IN MOLECULAR BIOSCIENCES, 9
Oktober 2022
Structural and electronic properties of the active site of [ZnFe] SulE
FRONTIERS IN MOLECULAR BIOSCIENCES, 9
Oktober 2022
Miller,
Anne-Frances;
Mohamed-Raseek,
Nishya;
Das,
Debarati;
Duan,
H. Diessel;
Viegas,
Maria Gonzalez;
Mroginski,
Maria-Andrea
The Contrasting Roles of Flavins in Electron Bifurcation: How the Protein Environment Makes These Possible
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 1863 (S) :2
September 2022
ISSN: 0005-2728
The Contrasting Roles of Flavins in Electron Bifurcation: How the Protein Environment Makes These Possible
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 1863 (S) :2
September 2022
ISSN: 0005-2728
Dragelj,
Jovan;
Mroginski,
Maria Andrea;
Ebrahimi,
Kourosh H.
Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS-CoV-2 (vol 22, pg 2946, 2021)
CHEMBIOCHEM, 23 (15)
August 2022
ISSN: 1439-4227
Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS-CoV-2 (vol 22, pg 2946, 2021)
CHEMBIOCHEM, 23 (15)
August 2022
ISSN: 1439-4227
Yang,
Yang;
Stensitzki,
Till;
Sauthof,
Luisa;
Schmidt,
Andrea;
Piwowarski,
Patrick;
Velazquez Escobar,
Francisco;
Michael,
Norbert;
Nguyen,
Anh Duc;
Szczepek,
Michal;
Brunig,
Florian Nikolas;
Netz,
Roland Rudiger;
Mroginski,
Maria Andrea;
Adam,
Suliman;
Bartl,
Franz;
Schapiro,
Igor;
Hildebrandt,
Peter;
Scheerer,
Patrick;
Heyne,
Karsten
Ultrafast proton-coupled isomerization in the phototransformation of phytochrome
NATURE CHEMISTRY, 14 (7) :823+
Juli 2022
ISSN: 1755-4330
Ultrafast proton-coupled isomerization in the phototransformation of phytochrome
NATURE CHEMISTRY, 14 (7) :823+
Juli 2022
ISSN: 1755-4330
Lopez,
Maria Fernandez;
Dahl,
Margarethe;
Escobar,
Francisco Velazquez;
Ruy Bonomi,
Hernan;
Kraskov,
Anastasia;
Michael,
Norbert;
Mroginski,
Maria Andrea;
Scheerer,
Patrick;
Hildebrandt,
Peter
Photoinduced reaction mechanisms in prototypical and bathy phytochromes
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (19) :11967-11978
Mai 2022
ISSN: 1463-9076
Photoinduced reaction mechanisms in prototypical and bathy phytochromes
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (19) :11967-11978
Mai 2022
ISSN: 1463-9076
2021
Otero,
Lisandro H.;
Foscaldi,
Sabrina;
Antelo,
Giuliano T.;
Rosano,
German L.;
Sirigu,
Serena;
Klinke,
Sebastian;
Defelipe,
Lucas A.;
Sanchez-Lamas,
Maximiliano;
Battocchio,
Giovanni;
Conforte,
Valeria;
Vojnov,
Adrian A.;
Chavas,
Leonard M. G.;
Goldbaum,
Fernando A.;
Mroginski,
Maria-Andrea;
Rinaldi,
Jimena;
Bonomi,
Hernan R.
Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level
SCIENCE ADVANCES, 7 (48)
November 2021
ISSN: 2375-2548
Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level
SCIENCE ADVANCES, 7 (48)
November 2021
ISSN: 2375-2548
Kar,
Rajiv K.;
Chasen,
Sam;
Mroginski,
Maria-Andrea;
Miller,
Anne-Frances
Tuning the Quantum Chemical Properties of Flavins via Modification at C8
JOURNAL OF PHYSICAL CHEMISTRY B, 125 (46) :12654-12669
November 2021
ISSN: 1520-6106
Tuning the Quantum Chemical Properties of Flavins via Modification at C8
JOURNAL OF PHYSICAL CHEMISTRY B, 125 (46) :12654-12669
November 2021
ISSN: 1520-6106
Theiß,
Maximilian;
Grupe,
Merten;
Lamparter,
Tilman;
Mroginski,
Maria Andrea;
Diller,
Rolf
Ultrafast proton release reaction and primary photochemistry of phycocyanobilin in solution observed with fs-time-resolved mid-IR and UV/Vis spectroscopy
Photochemical & Photobiological Sciences, 20 (6) :715–732
Juni 2021
ISSN: 1474-9092
Ultrafast proton release reaction and primary photochemistry of phycocyanobilin in solution observed with fs-time-resolved mid-IR and UV/Vis spectroscopy
Photochemical & Photobiological Sciences, 20 (6) :715–732
Juni 2021
ISSN: 1474-9092
Kruse,
Fabian;
Nguyen,
Anh Duc;
Dragelj,
Jovan;
Heberle,
Joachim;
Hildebrandt,
Peter;
Mroginski,
Maria Andrea;
Weidinger,
Inez M.
A Resonance Raman Marker Band Characterizes the Slow and Fast Form of Cytochrome c Oxidase
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143 (7) :2769-2776
Februar 2021
ISSN: 0002-7863
A Resonance Raman Marker Band Characterizes the Slow and Fast Form of Cytochrome c Oxidase
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143 (7) :2769-2776
Februar 2021
ISSN: 0002-7863
Elghobashi-Meinhardt,
Nadia;
Tombolelli,
Daria;
Mroginski,
Maria Andrea
Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster
CATALYSTS, 11 (2)
Februar 2021
Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster
CATALYSTS, 11 (2)
Februar 2021
Dragelj,
Jovan;
Mroginski,
Maria Andrea;
Knapp,
Ernst Walter
Beating Heart of Cytochrome c Oxidase: The Shared Proton of Heme a3 Propionates
The Journal of Physical Chemistry B, 125 (34) :9668-9677
2021
Beating Heart of Cytochrome c Oxidase: The Shared Proton of Heme a3 Propionates
The Journal of Physical Chemistry B, 125 (34) :9668-9677
2021
Hontani,
Yusaku;
Baloban,
Mikhail;
Escobar,
Francisco Velazquez;
Jansen,
Swetta A.;
Shcherbakova,
Daria M.;
Weissenborn,
Jorn;
Kloz,
Miroslav;
Mroginski,
Maria Andrea;
Verkhusha,
Vladislav V.;
Kennis,
John T. M.
Real-time observation of tetrapyrrole binding to an engineered bacterial phytochrome
COMMUNICATIONS CHEMISTRY, 4 (1)
Januar 2021
ISSN: 2399-3669
Real-time observation of tetrapyrrole binding to an engineered bacterial phytochrome
COMMUNICATIONS CHEMISTRY, 4 (1)
Januar 2021
ISSN: 2399-3669
Mroginski,
Maria-Andrea;
Adam,
Suliman;
Amoyal,
Gil S.;
Barnoy,
Avishai;
Bondar,
Ana-Nicoleta;
Borin,
Veniamin A.;
Church,
Jonathan R.;
Domratcheva,
Tatiana;
Ensing,
Bernd;
Fanelli,
Francesca;
Ferré,
Nicolas;
Filiba,
Ofer;
Pedraza-González,
Laura;
González,
Ronald;
González-Espinoza,
Cristina E.;
Kar,
Rajiv K.;
Kemmler,
Lukas;
Kim,
Seung Soo;
Kongsted,
Jacob;
Krylov,
Anna I.;
Lahav,
Yigal;
Lazaratos,
Michalis;
NasserEddin,
Qays;
Navizet,
Isabelle;
Nemukhin,
Alexander;
Olivucci,
Massimo;
Olsen,
Jógvan Magnus Haugaard;
Alba Ortíz,
Alberto;
Pieri,
Elisa;
Rao,
Aditya G.;
Rhee,
Young Min;
Ricardi,
Niccolò;
Sen,
Saumik;
Solov'yov,
Ilia A.;
De Vico,
Luca;
Wesolowski,
Tomasz A.;
Wiebeler,
Christian;
Yang,
Xuchun;
Schapiro,
Igor
Frontiers in Multiscale Modeling of Photoreceptor Proteins
Photochemistry and Photobiology, 97 (2) :243-269
2021
Frontiers in Multiscale Modeling of Photoreceptor Proteins
Photochemistry and Photobiology, 97 (2) :243-269
2021
Dragelj,
Jovan;
Mroginski,
Maria Andrea;
Ebrahimi,
Kourosh H.
Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS-CoV-2
ChemBioChem, n/a (n/a)
2021
Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS-CoV-2
ChemBioChem, n/a (n/a)
2021
Kraskov,
Anastasia;
Sass,
Johannes;
Nguyen,
Anh Duc;
Hoang,
Tu Oanh;
Buhrke,
David;
Katz,
Sagie;
Michael,
Norbert;
Kozuch,
Jacek;
Zebger,
Ingo;
Siebert,
Friedrich;
Scheerer,
Patrick;
Mroginski,
Maria Andrea;
Budisa,
Nediljko;
Hildebrandt,
Peter
Local Electric Field Changes during the Photoconversion of the Bathy Phytochrome Agp2
Biochemistry :null
2021
Local Electric Field Changes during the Photoconversion of the Bathy Phytochrome Agp2
Biochemistry :null
2021
2020
Elghobashi-Meinhardt,
Nadia;
Tombolelli,
Daria;
Mroginski,
Maria-Andrea
QM/MM computations reveal details of the acetyl-CoA synthase catalytic center
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 1864 (7)
Juli 2020
ISSN: 0304-4165
QM/MM computations reveal details of the acetyl-CoA synthase catalytic center
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 1864 (7)
Juli 2020
ISSN: 0304-4165
Escobar,
Francisco Velazquez;
Kneip,
Christa;
Michael,
Norbert;
Hildebrandt,
Thomas;
Tavraz,
Neslihan;
Gaertner,
Wolfgang;
Hughes,
Jon;
Friedrich,
Thomas;
Scheerer,
Patrick;
Mroginski,
Maria Andrea;
Hildebrandt,
Peter
The Lumi-R Intermediates of Prototypical Phytochromes
JOURNAL OF PHYSICAL CHEMISTRY B, 124 (20) :4044-4055
Mai 2020
ISSN: 1520-6106
The Lumi-R Intermediates of Prototypical Phytochromes
JOURNAL OF PHYSICAL CHEMISTRY B, 124 (20) :4044-4055
Mai 2020
ISSN: 1520-6106
Kruse,
Fabian;
Nguyen,
Anh Duc;
Dragelj,
Jovan;
Schlesinger,
Ramona;
Heberle,
Joachim;
Mroginski,
Maria Andrea;
Weidinger,
Inez M.
Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase (vol 10, 3863, 2020)
SCIENTIFIC REPORTS, 10 (1)
April 2020
ISSN: 2045-2322
Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase (vol 10, 3863, 2020)
SCIENTIFIC REPORTS, 10 (1)
April 2020
ISSN: 2045-2322
Kraskov,
Anastasia;
Nguyen,
Anh Duc;
Goerling,
Jan;
Buhrke,
David;
Escobar,
Francisco Velazquez;
Lopez,
Maria Fernandez;
Michael,
Norbert;
Sauthof,
Luisa;
Schmidt,
Andrea;
Piwowarski,
Patrick;
Yang,
Yang;
Stensitzki,
Till;
Adam,
Suliman;
Bartl,
Franz;
Schapiro,
Igor;
Heyne,
Karsten;
Siebert,
Friedrich;
Scheerer,
Patrick;
Mroginski,
Maria Andrea;
Hildebrandt,
Peter
Intramolecular Proton Transfer Controls Protein Structural Changes in Phytochrome
BIOCHEMISTRY, 59 (9) :1023-1037
März 2020
ISSN: 0006-2960
Intramolecular Proton Transfer Controls Protein Structural Changes in Phytochrome
BIOCHEMISTRY, 59 (9) :1023-1037
März 2020
ISSN: 0006-2960
Battocchio,
Giovanni;
González,
Ronald;
Rao,
Aditya G.;
Schapiro,
Igor;
Mroginski,
Maria Andrea
Dynamic Properties of the Photosensory Domain of Deinococcus radiodurans Bacteriophytochrome
JOURNAL OF PHYSICAL CHEMISTRY B, 124 (9) :1740-1750
März 2020
ISSN: 1520-6106
Dynamic Properties of the Photosensory Domain of Deinococcus radiodurans Bacteriophytochrome
JOURNAL OF PHYSICAL CHEMISTRY B, 124 (9) :1740-1750
März 2020
ISSN: 1520-6106
Moubarak,
Samah;
Elghobashi-Meinhardt,
N.;
Tombolelli,
Dania;
Mroginski,
Maria Andrea
Probing the Structure of [NiFeSe] Hydrogenase with QM/MM Computations
APPLIED SCIENCES-BASEL, 10 (3)
Februar 2020
Probing the Structure of [NiFeSe] Hydrogenase with QM/MM Computations
APPLIED SCIENCES-BASEL, 10 (3)
Februar 2020
Buhrke,
David;
Battocchio,
Giovanni;
Wilkening,
Svea Kristina;
Blain-Hartung,
Matthew;
Baumann,
Tobias;
Schmitt,
Franz-Josef;
Friedrich,
Thomas;
Mroginski,
Maria-Andre;
Hildebrandt,
Peter
Red, Orange, Green: Light- and Temperature-Dependent Color Tuning in a Cyanobacteriochrome
BIOCHEMISTRY, 59 (4) :509-519
Februar 2020
ISSN: 0006-2960
Red, Orange, Green: Light- and Temperature-Dependent Color Tuning in a Cyanobacteriochrome
BIOCHEMISTRY, 59 (4) :509-519
Februar 2020
ISSN: 0006-2960
2019
González,
Ronald;
Mroginski,
Maria A.
Fully Quantum Chemical Treatment of Chromophore-Protein Interactions in Phytochromes
JOURNAL OF PHYSICAL CHEMISTRY B, 123 (46) :9819-9830
November 2019
ISSN: 1520-6106
Fully Quantum Chemical Treatment of Chromophore-Protein Interactions in Phytochromes
JOURNAL OF PHYSICAL CHEMISTRY B, 123 (46) :9819-9830
November 2019
ISSN: 1520-6106