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Journal Article Contribution to a conference proceedings 54 Book 4 Contribution to a book 4 Review 4 Internal Report 1

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101

Journal Article

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

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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

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Select result number 102

102

Journal Article

Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET

Zuo, Ke
2023

Journal of chemical information and modeling, 63 (2023) 2, S. 643 - 654

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

Get full text Published on 2023-01-09. Available in OpenAccess from 2024-01-09. Restricted

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Select result number 103

103

Journal Article

Secondary Gravity Waves From the Stratospheric Polar Vortex Over ALOMAR Observatory on 12–14 January 2016: Observations and Modeling

Vadas, Sharon L.
2023

JGR / Atmospheres, 128 (2023) 2, S. e2022JD036985

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 104

104

Journal Article

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

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 105

105

Journal Article

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

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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

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Select result number 106

106

Journal Article

Improved Variational Quantum Eigensolver Via Quasidynamical Evolution

Jattana, Manpreet Singh
2023

Physical review applied, 19 (2023) 2, S. 024047

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 107

107

Journal Article

Brain signal predictions from multi-scale networks using a linearized framework

Hagen, Espen
2022

PLoS Computational Biology, 18 (2022) 8, S. e1010353

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 108

108

Journal Article

Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death

Margreiter, Michael A
2022

Computational and structural biotechnology journal, 20 (2022) S. 443 - 458

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 109

109

Journal Article

The role of collisional ionization in heavy ion acceleration by high intensity laser pulses

Afshari, M.
2022

Scientific reports, 12 (2022) 1, S. 18260

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 110

110

Journal Article

Exploring Parameter and Hyper-Parameter Spaces of Neuroscience Models on High Performance Computers With Learning to Learn

Yegenoglu, Alper
2022

Frontiers in computational neuroscience, 16 (2022) S. 885207

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 111

111

Journal Article

Classical, Quantum and Event-by-Event Simulation of a Stern–Gerlach Experiment with Neutrons

De Raedt, Hans
2022

Entropy, 24 (2022) 8, S. 1143 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 112

112

Journal Article

An assessment of tropopause characteristics of the ERA5 and ERA-Interim meteorological reanalyses

Hoffmann, Lars
2022

Atmospheric chemistry and physics, 22 (2022) 6, S. 4019 - 4046

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 113

113

Journal Article

Fast infrared radiative transfer calculations using graphics processing units: JURASSIC-GPU v2.0

Baumeister, Paul F.
2022

Geoscientific model development, 15 (2022) 5, S. 1855 - 1874

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 114

114

Journal Article

Folding lattice proteins with quantum annealing

Irbäck, Anders
2022

Physical review research, 4 (2022) 4, S. 043013

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 115

115

Journal Article

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 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 116

116

Journal Article

Advancing caching and automation with FDO

Mozaffari, Amirpasha
2022

Research ideas and outcomes, 8 (2022) S. e94856

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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117

Journal Article

Most Planets Might Have More than 5 Myr of Time to Form

Pfalzner, Susanne
2022

The astrophysical journal / 2, 939 (2022) 1, S. L10 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 118

118

Journal Article

Space-based Earth observation in support of the UNFCCC Paris Agreement

Hegglin, Michaela I.
2022

Frontiers in Environmental Science, 10 (2022) S. 941490

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Select result number 119

119

Journal Article

Quasiparticle Self-Consistent GW Study of Simple Metals

Friedrich, Christoph
2022

Nanomaterials, 12 (2022) 20, S. 3660 -

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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120

Journal Article

National and subnational short-term forecasting of COVID-19 in Germany and Poland during early 2021

Bracher, Johannes
2022

Communications medicine, 2 (2022) 1, S. 136

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Publications database 1,736 Open Access 1,241

Journal Article Contribution to a conference proceedings 54 Book 4 Contribution to a book 4 Review 4 Internal Report 1

Hoffmann, Lars 125 Gohlke, Holger 115 Michielsen, Kristel 105 Lippert, Thomas 79 Krieg, Stefan 76 Rossetti, Giulia 73 more ... Gibbon, Paul 60 Schultz, Martin 58 Fodor, Z. 54 Carloni, Paolo 53 Pleiter, Dirk 53 Szabo, Kalman 49 Jin, Fengping 48 De Raedt, Hans 47 Griessbach, Sabine 46 Seyfried, Armin 46 De Raedt, H. 42 Grassberger, Peter 41 Riedel, Morris 39 Schug, Alexander 37 Sutmann, Godehard 36 Mohr, Bernd 34 Müser, Martin 34 Riese, Martin 33 Attig, Norbert 32 Durr, Stephan 32 Spang, Reinhold 31 Horsley, R. 30 Mueller, Thomas 27 Müller, Rolf 27 see all ... less ...

Computational Science and Mathematical Methods 966 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 292 Scientific Computing 262 Supercomputer Facility 122 Forschergruppe Gohlke 105 ohne Topic 85 more ... Cross-Domain Algorithms, Tools, Methods Labs (ATMLs) and Research Groups 72 Data-Intensive Science and Federated Computing 55 Earth System Data Exploration 53 SimLab Neuroscience 53 Biological and environmental resources for sustainable use 45 Doktorand ohne besondere Förderung 41 Theory, modelling and simulation 39 Molecular Information Processing in Cellular Systems 31 Addenda 30 Supercomputing and Modelling for the Human Brain 29 Composition and dynamics of the upper troposphere and middle atmosphere 28 Tropospheric trace substances and their transformation processes 28 Simulation and Data Laboratory Quantum Materials (SDLQM) 27 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 24 Grid Technologies and Infrastructures 23 Forschergruppe Schug 22 Climate Feedbacks 19 Human Brain Project Specific Grant Agreement 2 19 Artificial Intelligence for Air Quality 18 Raum-Zeit-parallele Simulation multimodale Energiesystemen 14 Supercomputing & Big Data Facilities 14 (Dys-)function and Plasticity 13 Human Brain Project Specific Grant Agreement 1 13 Human Brain Project Specific Grant Agreement 3 13 see all ... less ...

Jülich Supercomputing Center; JSC 1,736 John von Neumann - Institut für Computing; NIC 165 JARA - HPC; JARA-HPC 115 Stratosphäre; IEK-7 81 Computational Biomedicine; IAS-5 71 Strukturbiochemie; IBI-7 65 more ... Computational Biomedicine; INM-9 63 Zentralinstitut für Angewandte Mathematik; ZAM 62 Bioinformatik; IBG-4 47 Strukturbiochemie; ICS-6 44 Troposphäre; IEK-8 38 Agrosphäre; IBG-3 22 Computational and Systems Neuroscience; INM-6 22 Quanten-Theorie der Materialien; IAS-1 19 Computational and Systems Neuroscience; IAS-6 18 Quanten-Theorie der Materialien; PGI-1 18 JARA-FAME; JARA-FAME 14 Strukturelle und funktionelle Organisation des Gehirns; INM-1 14 Center for Advanced Simulation and Analytics; CASA 13 GRS; GRS 13 JARA-FIT; JARA-FIT 13 Wissenschaftlicher Geschäftsbereich I; VS-I 13 Biotechnologie; IBG-1 11 Institut für Molekulare Enzymtechnologie (HHUD); IMET 11 Theorie der Starken Wechselwirkung; IAS-4 10 Jara-Institut Brain structure-function relationships; INM-10 9 Plasmaphysik; IEK-4 9 Elektronische Eigenschaften; PGI-6 8 Theorie der Weichen Materie und Biophysik; IAS-2 8 Theoretische Nanoelektronik; IAS-3 7 see all ... less ...

2015 140 2022 139 2021 135 2013 120 2017 116 2019 113 more ... 2016 111 2014 109 2018 109 2020 105 2012 90 2023 83 2011 72 2009 55 2010 47 2024 23 2008 21 2007 9 see all ... less ...

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