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Journal Article Contribution to a conference proceedings 2

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Journal Article

The metagenome‐derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate ( PET )

Zhang, Hongli
2024

The FEBS journal, 291 (2024) 1, S. 70-91

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

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Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin

Schmitz, Birte
2024

Archiv der Pharmazie, 357 (2024) 5, S. e2300612

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Development of a scoring function for comparing simulated and experimental tumor spheroids

Herold, Julian
2023

PLoS Computational Biology, 19 (2023) 3, S. e1010471 -

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4

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Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions

El Harrar, Till
2023

Journal of chemical information and modeling, 63 (NA) 1, S. 281–298

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Combining structural and coevolution information to unveil allosteric sites

La Sala, Giuseppina
2023

Chemical science, 14 (2023) 25, S. 7057-7067

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6

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A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatment

Kaiser, Jesko
2023

Toxicology letters, 373 (2023) S. 160-171

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Published on 2022-11-26. Available in OpenAccess from 2023-11-26.

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7

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TopEnzyme: a framework and database for structural coverage of the functional enzyme space

van der Weg, Karel J
2023

Bioinformatics, 39 (2023) 3, S. btad116

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Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes

Marasco, Ramona
2023

Nature Communications, 14 (2023) 1, S. 1045

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9

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Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1–42) Amyloid Fibrils

Becker, Nina
2023

Journal of the American Chemical Society, 145 (2023) 4, S. 2161–2169

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10

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Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels

Dittrich, Jonas
2023

The chemical engineering journal, 460 (2023) S. 141631

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Published on 2023-01-31. Available in OpenAccess from 2024-01-31.

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Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations

Dittrich, Jonas
2023

Journal of chemical theory and computation, 19 (2023) 8, S. 2389 - 2409

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Get full text Published on 2023-04-06. Available in OpenAccess from 2024-04-06.

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12

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Structure and function of redox-sensitive superfolder green fluorescent protein variant

Heimsch, Kim
2022

Antioxidants & redox signaling, 37 (2022) 1-3, S. ars.2021.0234

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13

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A phospholipase B from Pseudomonas aeruginosa with activity towards endogenous phospholipids affects biofilm assembly

Weiler, Andrea J.
2022

Biochimica et biophysica acta / Molecular and cell biology of lipids, 1867 (2022) 4, S. 159101 -

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Published on 2022-01-19. Available in OpenAccess from 2023-01-19.

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14

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Mapping the helix arrangement of the reconstituted ETR1 ethylene receptor transmembrane domain by EPR spectroscopy

Kugele, Anandi
2022

RSC Advances, 12 (2022) S. 7352 - 7356

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15

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Single MHC‐I Expression Promotes Virus‐Induced Liver Immunopathology

Xu, Haifeng C.
2022

Hepatology communications, 6 (2022) 7, S. 1620-1633

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Physiological, Biochemical, and Structural Bioinformatic Analysis of the Multiple Inositol Dehydrogenases from Corynebacterium glutamicum

Ramp, Paul
2022

Microbiology spectrum, 10 (2022) 5, S. e01950-22

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A MademoiseLLE domain binding platform links the key RNA transporter to endosomes

Devan, Senthil-Kumar
2022

PLoS Genetics, 18 (2022) 6, S. e1010269 -

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18

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Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho-C(sp2)-H-Hydroxylation

Berger, Alexander
2022

Pharmaceuticals, 15 (2022) 8, S. 984 -

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19

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Unsaturated fatty acids augment protein transport via the SecA:SecYEG translocon

Kamel, Michael
2022

The FEBS journal, 289 (2022) 1, S. 140-162

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Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation Mutagenesis

El Harrar, Till
2022

Computational and structural biotechnology journal, 20 (2022) S. 399-409

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Publications database 279 Open Access 218

Journal Article Contribution to a conference proceedings 2

Gohlke, Holger 113 Hansmann, U. H. E. 33 Grassberger, Peter 23 Nadler, Walter 18 Szabo, Kalman 16 Bonus, Michele 15 more ... Schott-Verdugo, Stephan 15 Schug, Alexander 15 Fodor, Z. 12 Frieg, Benedikt 12 Jaeger, Karl-Erich 12 Gertzen, Christoph 11 Hsu, H. P. 10 Häussinger, Dieter 10 Pfleger, Christopher 10 Smits, Sander H. J. 9 Dittrich, Jonas 8 Horsley, R. 8 Katz, S. D. 8 Kollet, Stefan 8 Kovacic, Filip 8 Kraskov, A. 8 Meissner, Ulf-G. 8 Mohanty, Sandipan 8 Mulnaes, Daniel 8 Nakamura, Y. 8 Schierholz, G. 8 Schmitt, Lutz 8 Zimmermann, Olav 8 Benndorf, Klaus 7 see all ... less ...

Computational Science and Mathematical Methods 113 Forschergruppe Gohlke 105 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 65 Biological and environmental resources for sustainable use 47 Scientific Computing 47 Betrieb und Weiterentwicklung des Höchstleistungsrechners 31 more ... Molecular Information Processing in Cellular Systems 22 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 20 Forschergruppe Schug 9 Physical Basis of Diseases 8 SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen 7 TRR 110: Symmetrien und Strukturbildung in der Quantenchromodynamik 7 Bioeconomy Science Center 6 Doktorand ohne besondere Förderung 6 Terrestrial Systems: From Observation to Prediction 6 Agro-biogeosystems: controls, feedbacks and impact 5 Functional Macromolecules and Complexes 5 Nuclear Lattice Simulations 5 Theory, modelling and simulation 5 Artificial Intelligence for Air Quality 4 Biotechnology 4 Deep Learning for Air Quality and Climate Forecasts 4 Earth System Data Exploration 4 ohne Topic 4 Analysis of the conformational changes during activation of lipase A by its foldase 3 Biological Key Regulators and Small Chemical Compounds 3 Controlling Electron Charge-Based Phenomena 3 Controlling Spin-Based Phenomena 3 Disinhibition and inhibition of HCN2 channel function by ligand binding to the cyclic nucleotide bin 3 Hadron physics using background fields 3 see all ... less ...

John von Neumann - Institut für Computing; NIC 279 Jülich Supercomputing Center; JSC 166 Strukturbiochemie; IBI-7 66 Bioinformatik; IBG-4 48 Strukturbiochemie; ICS-6 42 JARA - HPC; JARA-HPC 13 more ... Agrosphäre; IBG-3 11 Institut für Molekulare Enzymtechnologie (HHUD); IMET 11 Theorie der Starken Wechselwirkung; IAS-4 8 Biotechnologie; IBG-1 7 Theorie der starken Wechselwirkung; IKP-3 6 Quantum Nanoscience; PGI-3 5 Stratosphäre; IEK-7 4 Institut für Bioorganische Chemie (HHUD); IBOC 3 Elektronische Eigenschaften; PGI-6 2 JARA-FIT; JARA-FIT 2 Pflanzenwissenschaften; IBG-2 2 Quanten-Theorie der Materialien; IAS-1 2 Quanten-Theorie der Materialien; PGI-1 2 Werkstoffstruktur und -eigenschaften; IEK-2 2 Computational and Systems Neuroscience; IAS-6 1 Computational and Systems Neuroscience; INM-6 1 Helmholtz-Institut Erlangen-Nürnberg Erneuerbare Energien; IEK-11 1 IEK-13; IEK-13 1 Theoretische Nanoelektronik; IAS-3 1 see all ... less ...

2021 40 2019 37 2020 27 2022 23 2005 19 2007 19 more ... 2006 17 2018 17 2015 14 2004 12 2016 12 2017 11 2008 10 2023 9 2024 2 2009 1 2013 1 2014 1 see all ... less ...

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