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Journal Article 279 Contribution to a book 212 Contribution to a conference proceedings 176 Conference Presentation 59 Talk (non-conference) 31 Book 29 Poster 18 more ... Dissertation / PhD Thesis 8 Proceedings 7 Diploma Thesis 1 Preprint 1 less ...

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Perspectives of Quantum Computing at the Jülich Supercomputing Centre

Lippert, Thomas
2022

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Native-Contact Guided Replica Exchange Simulations of Structured RNA

Schug, Alexander
2022

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Massively Parallel Likelihood-Free Parameter Inference for Biological Multi-Scale Systems

Alamoudi, E.
2022

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Molecular Origin of the Unusual Proton/Fluoride Stoichiometry of CLC-Type Fluoride Transporters

Chiariello, Gabriella
2022

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Two-Dimensional Hydrogen Structures at Ultra-High Pressures

Calcavecchia, F.
2022

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Quantum Many-Body Dynamics from Neural Networks with GPU Acceleration

Schmitt, M.
2022

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Identification of Very-Large-Scale Motions in Turbulent Channel Flows by Direct Numerical Simulations and Data-Driven Decomposition

Chi, C.
2022

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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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Identification and Characterization of the Haloperoxidase VPO-RR from Rhodoplanes roseus by Genome Mining and Structure-Based Catalytic Site Mapping

Porta, Nicola
2022

Catalysts, 12 (2022) 10, S. 1195 -

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Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects

Gopalswamy, Mohanraj
2022

Scientific reports, 12 (2022) 1, S. 14158

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Uncoupling of Voltage- and Ligand-Induced Activation in HCN2 Channels by Glycine Inserts

Yüksel, Sezin
2022

Frontiers in physiology, 13 (2022) S. 895324

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NIC Symposium 2022 Proceedings

Müller, M.
2022

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Rational Design Yields Molecular Insights on Leaf-Binding of Anchor Peptides

Dittrich, Jonas
2022

ACS applied materials & interfaces, 14 (2022) 25, S. 28412–28426

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Published on 2022-05-23. Available in OpenAccess from 2023-05-23. Restricted

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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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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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Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1

Cutsail, George
2022

Biophysical journal, 121 (2022) 20, S. 3862-3873

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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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Protein engineering for feedback resistance in 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase

Jayaraman, Kumaresan
2022

Applied microbiology and biotechnology, 106 (2022) S. 6505–6517

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Met/Val129 polymorphism of the full-length human prion protein dictates distinct pathways of amyloid formation

Pauly, Thomas
2022

Journal of Biological Chemistry The journal of biological chemistry, 298 298 (2022 2022) 10 10, S. 102430 102430

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Journal Article

Vasor: Accurate prediction of variant effects for amino acid substitutions in multidrug resistance protein 3

Behrendt, Annika
2022

Hepatology communications, 6 (2022) 11, S. 3098-3111

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Publications database 668 Open Access 495

Journal Article 279 Contribution to a book 212 Contribution to a conference proceedings 176 Conference Presentation 59 Talk (non-conference) 31 Book 29 more ... Poster 18 Dissertation / PhD Thesis 8 Proceedings 7 Diploma Thesis 1 Preprint 1 see all ... less ...

Gohlke, Holger 117 Hansmann, U. H. E. 92 Grassberger, Peter 41 Nadler, Walter 28 Mohanty, Sandipan 23 Schug, Alexander 19 more ... Fodor, Z. 18 Hsu, H. P. 18 Lippert, Thomas 18 Meinke, Jan 18 Szabo, Kalman 18 Zimmermann, Olav 18 Neuhaus, Thomas 16 Bonus, Michele 15 Schott-Verdugo, Stephan 15 Stögbauer, H. 14 Andrzejak, R. G. 13 Frieg, Benedikt 13 Höfinger, S. 12 Jaeger, Karl-Erich 12 Kraskov, A. 12 Gertzen, Christoph 11 Krieg, Stefan 11 Meissner, Ulf-G. 11 Mormann, F. 11 Schmidt, H. A. 11 Häussinger, Dieter 10 Katz, S. D. 10 Kollet, Stefan 10 Lehnertz, K. 10 see all ... less ...

Scientific Computing 157 ohne Topic 143 Computational Science and Mathematical Methods 137 Forschergruppe Gohlke 107 Betrieb und Weiterentwicklung des Höchstleistungsrechners 93 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 72 more ... Biological and environmental resources for sustainable use 47 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 24 Molecular Information Processing in Cellular Systems 22 Kondensierte Materie 12 Forschergruppe Schug 10 Terrestrial Systems: From Observation to Prediction 10 Physical Basis of Diseases 9 Doktorand ohne besondere Förderung 8 TRR 110: Symmetrien und Strukturbildung in der Quantenchromodynamik 8 SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen 7 Supercomputer Facility 7 Theory, modelling and simulation 7 Bioeconomy Science Center 6 Functional Macromolecules and Complexes 5 Grundlagen für zukünftige Informationstechnologien 5 Nuclear Lattice Simulations 5 Artificial Intelligence for Air Quality 4 Biotechnology 4 Data-Intensive Science and Federated Computing 4 Deep Learning for Air Quality and Climate Forecasts 4 Earth System Data Exploration 4 Agro-biogeosystems: controls, feedbacks and impact 3 Analysis of the conformational changes during activation of lipase A by its foldase 3 Biological Key Regulators and Small Chemical Compounds 3 see all ... less ...

John von Neumann - Institut für Computing; NIC 678 Jülich Supercomputing Center; JSC 219 Strukturbiochemie; IBI-7 67 Bioinformatik; IBG-4 49 Strukturbiochemie; ICS-6 44 Zentralinstitut für Angewandte Mathematik; ZAM 25 more ... JARA - HPC; JARA-HPC 16 Agrosphäre; IBG-3 12 Institut für Molekulare Enzymtechnologie (HHUD); IMET 11 Theorie der Starken Wechselwirkung; IAS-4 11 Theorie I; IFF-TH-I 10 Biotechnologie; IBG-1 7 Theorie der starken Wechselwirkung; IKP-3 6 Quantum Nanoscience; PGI-3 5 Stratosphäre; IEK-7 5 Quanten-Theorie der Materialien; IAS-1 4 Quanten-Theorie der Materialien; IFF-1 4 Institut für Bioorganische Chemie (HHUD); IBOC 3 JARA-FIT; JARA-FIT 3 Quanten-Theorie der Materialien; PGI-1 3 Center of Nanoelectronic Systems for Information Technology; CNI 2 Elektronische Eigenschaften; PGI-6 2 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM 2 Molekulare Biophysik; INB-2 2 Pflanzenwissenschaften; IBG-2 2 Theoretische Nanoelektronik; IAS-3 2 Theoretische Nanoelektronik; PGI-2 2 Theorie III; IFF-TH-III 2 Werkstoffstruktur und -eigenschaften; IEK-2 2 Agrosphäre; ICG-IV 1 see all ... less ...

2007 72 2018 66 2004 65 2006 65 2020 65 2022 62 more ... 2016 55 2021 41 2019 37 2008 35 2005 31 2015 14 2017 14 2023 9 2000 5 2002 4 2009 4 2013 3 2012 2 2024 2 2010 1 2014 1 see all ... less ...

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