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John von Neumann - Institut für Computing; NIC

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Journal Article 165 Contribution to a book 35 Contribution to a conference proceedings 28 Book 6 Proceedings 5 Conference Presentation 2 Talk (non-conference) 2 more ... Dissertation / PhD Thesis 1 less ...

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Journal Article

Assembly of Multi‐Spheroid Cellular Architectures by Programmable Droplet Merging

Cui, Haijun
2021

Advanced materials, 33 (2021) 4, S. 2006434 -

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

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Select result number 42

Journal Article

Leading hadronic contribution to the muon magnetic moment from lattice QCD

Borsanyi, Sz.
2021

Nature , 593 (2021) 7857, S. 51–55

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

Published on 2021-04-07. Available in OpenAccess from 2021-10-07. Restricted

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Journal Article

Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5

Harris, Andrzej
2021

Nature Communications, 12 (2021) 1, S. 5254

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

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Dissertation / PhD Thesis

Impact of enzyme rigidity and flexibility on stability against environmental influences, promiscuity, and expression on large-scale

Nutschel, Christina
2021

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

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Journal Article

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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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

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

Moe-Lange, Jacob
2021

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

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

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Journal Article

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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Journal Article

Foamy Viruses, Bet, and APOBEC3 Restriction

Jaguva Vasudevan, Ananda Ayyappan
2021

Viruses, 13 (2021) 3, S. 504

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

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Journal Article

MLAir (v1.0) – a tool to enable fast and flexible machine learning on air data time series

Leufen, Lukas Hubert
2021

Geoscientific model development, 14 (2021) 3, S. 1553 - 1574

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

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Journal Article

Erratum: “AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools” [J. Chem. Phys. 152, 221103 (2020)]

Schepers, Bastian
2021

The journal of chemical physics, 154 (2021) 10, S. 109901 -

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

Published on 2021-03-10. Available in OpenAccess from 2022-03-10. Published on 2021-03-10. Available in OpenAccess from 2022-03-10.

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Journal Article

The Inhibitory Effect of a Coronavirus Spike Protein Fragment with ACE2

Peter, Emanuel K.
2021

Biophysical journal, 120 (2021) 6, S. 1001-1010

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

Restricted Published on 2020-08-27. Available in OpenAccess from 2021-08-27.

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Journal Article

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

Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway

Navarro-Retamal, Carlos
2021

International journal of molecular sciences, 22 (2021) 19, S. 10345 -

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

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Journal Article

IntelliO3-ts v1.0: a neural network approach to predict near-surface ozone concentrations in Germany

Kleinert, Felix
2021

Geoscientific model development, 14 (2021) 1, S. 1 - 25

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

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Journal Article

Can Constraint Network Analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase

Contreras, Francisca
2021

Computational and structural biotechnology journal, 19 (2021) S. 743-751

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

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Journal Article

AQ-Bench: a benchmark dataset for machine learning on global air quality metrics

Betancourt, Clara
2021

Earth system science data, 13 (2021) 6, S. 3013 - 3033

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

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Journal Article

Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspects

Frieg, Benedikt
2021

Biological chemistry, 402 (2021) 9, S. 1063-1072

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

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Journal Article

Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones

Nutschel, Christina
2021

Journal of chemical information and modeling, 61 (2021) 5, S. 2383 - 2395

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

Get full text Published on 2021-05-05. Available in OpenAccess from 2022-05-05.

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Journal Article

Liver cell hydration and integrin signaling

Bonus, Michele
2021

Biological chemistry, 402 (2021) 9, S. 1033-1045

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

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Publications database 218 Open Access 189

Journal Article 165 Contribution to a book 35 Contribution to a conference proceedings 28 Book 6 Proceedings 5 Conference Presentation 2 more ... Talk (non-conference) 2 Dissertation / PhD Thesis 1 see all ... less ...

Gohlke, Holger 116 Schug, Alexander 18 Szabo, Kalman 18 Fodor, Z. 16 Bonus, Michele 15 Schott-Verdugo, Stephan 15 more ... Lippert, Thomas 14 Frieg, Benedikt 12 Jaeger, Karl-Erich 12 Gertzen, Christoph 11 Krieg, Stefan 11 Häussinger, Dieter 10 Katz, S. D. 10 Pfleger, Christopher 10 Lellouch, L. 9 Smits, Sander H. J. 9 Dittrich, Jonas 8 Kovacic, Filip 8 Mulnaes, Daniel 8 Pleiter, Dirk 8 Schmitt, Lutz 8 Benndorf, Klaus 7 Gertzen, Christoph G. W. 7 Groth, Georg 7 Hoelbling, C. 7 Horsley, R. 7 Nakamura, Y. 7 Schierholz, G. 7 Stüben, H. 7 Bickel, David 6 see all ... less ...

Computational Science and Mathematical Methods 126 Forschergruppe Gohlke 107 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 69 Biological and environmental resources for sustainable use 46 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 24 Molecular Information Processing in Cellular Systems 22 more ... Scientific Computing 16 Forschergruppe Schug 10 Physical Basis of Diseases 9 Doktorand ohne besondere Förderung 7 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 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 Analysis of the conformational changes during activation of lipase A by its foldase 3 Biological Key Regulators and Small Chemical Compounds 3 Disinhibition and inhibition of HCN2 channel function by ligand binding to the cyclic nucleotide bin 3 Hadron physics using background fields 3 Information Processing in Neuronal Networks 3 Methoden und Systeme der Informationstechnik 3 Zentrum für strukturelle Studien 3 Antagonists of the TGR5 G-protein complex formation 2 Conformational dynamics of the unbound lipase-specific foldase Lif 2 Enabling Computational- & Data-Intensive Science and Engineering 2 see all ... less ...

John von Neumann - Institut für Computing; NIC Jülich Supercomputing Center; JSC 218 Strukturbiochemie; IBI-7 66 Bioinformatik; IBG-4 48 Strukturbiochemie; ICS-6 44 Institut für Molekulare Enzymtechnologie (HHUD); IMET 11 more ... Biotechnologie; IBG-1 7 Institut für Bioorganische Chemie (HHUD); IBOC 3 JARA - HPC; JARA-HPC 3 Zentralinstitut für Angewandte Mathematik; ZAM 3 Pflanzenwissenschaften; IBG-2 2 Theoretische Nanoelektronik; IAS-3 2 Computational Biomedicine; IAS-5 1 Computational Biomedicine; INM-9 1 Computational and Systems Neuroscience; IAS-6 1 Computational and Systems Neuroscience; INM-6 1 Elektronische Eigenschaften; PGI-6 1 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM 1 Quanten-Theorie der Materialien; IAS-1 1 Quanten-Theorie der Materialien; PGI-1 1 see all ... less ...

2019 34 2020 34 2021 32 2022 31 2018 20 2016 14 more ... 2017 11 2007 9 2015 9 2023 9 2008 4 2002 3 2009 3 2010 1 2024 1 see all ... less ...

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