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2021

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Journal Article

Properties of a New Group of Cosmic Nuclei: Results from the Alpha Magnetic Spectrometer on Sodium, Aluminum, and Nitrogen

Aguilar, M.
2021

Physical review letters, 127 (2021) 2, S. 021101

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

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Interstellar Objects Follow the Collapse of Molecular Clouds

Pfalzner, Susanne
2021

The astrophysical journal / 1, 921 (2021) 2, S. 168 -

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

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Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity

Ahmad, Sabahuddin
2021

Journal of chemical information and modeling, 61 (2021) 11, S. 5626–5643

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

Get full text Published on 2021-11-08. Available in OpenAccess from 2022-11-08.

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TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks

Mulnaes, Daniel
2021

Journal of chemical theory and computation, 17 (2021) 11, S. 7281 - 7289

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

Get full text Published on 2021-10-18. Available in OpenAccess from 2022-10-18.

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On the influence of prior information evaluated by fully Bayesian criteria in a personalized whole-brain model of epilepsy spread

Hashemi, Meysam
2021

PLoS Computational Biology, 17 (2021) 7, S. e1009129 -

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Long-Term Desynchronization by Coordinated Reset Stimulation in a Neural Network Model With Synaptic and Structural Plasticity

Manos, Thanos
2021

Frontiers in physiology, 12 (2021) S. 716556

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

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Journal Article

Back cover

Colliard-Granero, A.
2021

Nanoscale, 14 (2021) 1, S. 206 - 206

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

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pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics

Voronin, Arthur
2021

The journal of open source software, 6 (2021) 68, S. 3325 -

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

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CoCoNet—boosting RNA contact prediction by convolutional neural networks

Zerihun, Mehari B
2021

Nucleic acids research, 49 (2021) 22, S. 12661 - 12672

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

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CORE-MD II: A fast, adaptive, and accurate enhanced sampling method

Peter, Emanuel K.
2021

The journal of chemical physics, 155 (2021) 10, S. 104114 -

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

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A modeler's guide to handle complexity in energy systems optimization

Kotzur, Leander
2021

Advances in applied energy, 4 (2021) S. 100063 -

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

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Journal Article

Using vertical phase differences to better resolve 3D gravity wave structure

Wright, Corwin J.
2021

Atmospheric measurement techniques, 14 (2021) 9, S. 5873 - 5886

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The two redox states of the human NEET proteins’ [2Fe–2S] clusters

Zuo, Ke
2021

Journal of biological inorganic chemistry, 26 (2021) S. 763–774

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Journal Article

A pre-registered short-term forecasting study of COVID-19 in Germany and Poland during the second wave

Bracher, J.
2021

Nature Communications, 12 (2021) 1, S. 5173

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

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Journal Article

F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism

Becker, Daniel
2021

Journal of chemical information and modeling, 61 (2021) 8, S. 4023–4030

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

Published on 2021-08-09. Available in OpenAccess from 2022-08-09.

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Journal Article

Solving the Bethe-Salpeter equation on massively parallel architectures

Zhang, Xiao
2021

Computer physics communications, 267 (2021) S. 108081

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Journal Article

Rational Spectral Filters with Optimal Convergence Rate

Kollnig, Konrad
2021

SIAM journal on scientific computing, 43 (2021) 4, S. A2660–A2684

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A CUDA fast multipole method with highly efficient M2L far field evaluation

Kohnke, Bartosz
2021

The international journal of high performance computing applications, 35 (2021) 1, S. 97 - 117

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TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction

Mulnaes, Daniel
2021

Journal of chemical information and modeling, 61 (2021) 2, S. 548–553

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

Published on 2021-01-19. Available in OpenAccess from 2022-01-19. Restricted

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Journal Article

Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling

Moe-Lange, Jacob
2021

Science advances, 7 (2021) 37, S. eabg4298

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Publications database 135 Open Access 132

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Gohlke, Holger 24 Rossetti, Giulia 9 Schug, Alexander 7 Schultz, Martin 7 Hoffmann, Lars 6 Lippert, Thomas 6 more ... Kotov, Andrey 5 Liu, Z. 5 Michielsen, Kristel 5 Szabo, Kalman 5 Aguilar, M. 4 Ambrosi, G. 4 Arruda, L. 4 Attig, Norbert 4 Barao, F. 4 Barrin, L. 4 Bartoloni, A. 4 Battiston, R. 4 Başeğmez-du Pree, S. 4 Behlmann, M. 4 Berdugo, J. 4 Berkowitz, Evan 4 Bertucci, B. 4 Betancourt, Clara 4 Bindi, V. 4 Bollweg, K. 4 Bonus, Michele 4 Borgia, B. 4 Boschini, M. J. 4 Bourquin, M. 4 see all ... less ...

Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 101 Forschergruppe Gohlke 23 Cross-Domain Algorithms, Tools, Methods Labs (ATMLs) and Research Groups 19 Biological and environmental resources for sustainable use 15 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 14 Earth System Data Exploration 8 more ... Computational Science and Mathematical Methods 7 Enabling Computational- & Data-Intensive Science and Engineering 7 Forschergruppe Schug 7 Supercomputing & Big Data Facilities 7 Artificial Intelligence for Air Quality 5 SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen 5 Simulation and Data Laboratory Quantum Materials (SDLQM) 5 Deep Learning for Air Quality and Climate Forecasts 4 Doktorand ohne besondere Förderung 4 Kinetic Plasma Simulation with Highly Scalable Particle Codes 4 Molecular Information Processing in Cellular Systems 4 Brain Dysfunction and Plasticity 2 Climate Feedbacks 2 De novo protein structure prediction by integration of coevolutionary data into molecular dynamics simulations 2 Decoding Brain Organization and Dysfunction 2 Die Atmosphäre im globalen Wandel 2 Electrochemistry for Hydrogen 2 Für eine nachhaltige Bio-Ökonomie – von Ressourcen zu Produkten 2 Human Brain Project Specific Grant Agreement 2 2 JL SMHB - Joint Lab Supercomputing and Modeling for the Human Brain (JL SMHB-2021-2027) 2 Molecular and Cellular Information Processing 2 Quantum Materials 2 SMITH - Medizininformatik-Konsortium 2 SMITH - Medizininformatik-Konsortium - Beitrag Forschungszentrum Jülich 2 see all ... less ...

Jülich Supercomputing Center; JSC 135 John von Neumann - Institut für Computing; NIC 32 Strukturbiochemie; IBI-7 24 Bioinformatik; IBG-4 15 Computational Biomedicine; IAS-5 9 Computational Biomedicine; INM-9 9 more ... JARA - HPC; JARA-HPC 7 Stratosphäre; IEK-7 6 Theorie der Starken Wechselwirkung; IAS-4 4 Institut für Molekulare Enzymtechnologie (HHUD); IMET 3 JARA-FIT; JARA-FIT 3 Quanten-Theorie der Materialien; IAS-1 3 Quanten-Theorie der Materialien; PGI-1 3 Agrosphäre; IBG-3 2 Elektronische Eigenschaften; PGI-6 2 IEK-13; IEK-13 2 Plasmaphysik; IEK-4 2 Biotechnologie; IBG-1 1 Institut für Bioorganische Chemie (HHUD); IBOC 1 Kernphysikalische Großgeräte; IKP-4 1 Technoökonomische Systemanalyse; IEK-3 1 Theorie der starken Wechselwirkung; IKP-3 1 Troposphäre; IEK-8 1 see all ... less ...

2021

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