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John von Neumann - Institut für Computing; NIC

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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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101

Contribution to a book
Contribution to a conference proceedings

Sub-Grid Scale Modelling at Scale with Deep Learning and up to 60 Billion Degrees of Freedom

Bode, Mathis
2020

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

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Select result number 102

102

Contribution to a book
Contribution to a conference proceedings

BEAM-ME: Accelerating Linear Energy Systems Models by a Massively Parallel Interior Point Method

Breuer, Thomas
2020

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

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Select result number 103

103

Journal Article

Resolving dynamics and function of transient states in single enzyme molecules

Sanabria, Hugo
2020

Nature Communications, 11 (2020) 1, S. 1231

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

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Select result number 104

104

Journal Article

pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences

Zerihun, Mehari B
2020

Bioinformatics, 36 (2020) 7, S. 2264 - 2265

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

Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28.

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Select result number 105

105

Journal Article

AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools

Schepers, Bastian
2020

The Journal of Chemical Physics The journal of chemical physics, 152 152 (2020 2020) 22 22, S. 221103 221103

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

Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12.

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Select result number 106

106

Journal Article

Systematically scrutinizing the impact of substitution sites on thermostability and detergent tolerance for Bacillus subtilis lipase A

Nutschel, Christina
2020

Journal of chemical information and modeling, 60 (2020) 3, S. 1568-1584

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

Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Restricted Restricted

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Select result number 107

107

Journal Article

Binding Modes of Thioflavin T and Congo Red to the Fibril Structure of Amyloid-β(1–42)

Frieg, Benedikt
2020

Chemical communications, 56 (2020) S. 7589-7592

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

Get full text Published on 2020-06-01. Available in OpenAccess from 2021-06-01. Published on 2020-06-01. Available in OpenAccess from 2021-06-01. Get full text

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Select result number 108

108

Journal Article

Synthesis of peptoid-based class I selective histone deacetylase inhibitors with chemosensitizing properties

Krieger, Viktoria
2019

Journal of medicinal chemistry, 62 (2019) 24, S. 11260-11279

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

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Select result number 109

109

Journal Article

Towards the equation of state at finite density from the lattice

Borsanyi, Szabolcs
2019

Nuclear physics / A, 982 (2019) S. 223 - 226

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

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Select result number 110

110

Journal Article

Co-culture of the fungus Fusarium tricinctum with Streptomyces lividans induces production of cryptic naphthoquinone dimers

Moussa, Mariam
2019

RSC Advances, 9 (2019) 3, S. 1491 - 1500

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

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Select result number 111

111

Journal Article

Cross-correlations of conserved charges from the lattice

Guenther, Jana N.
2019

Nuclear physics / A, 982 (2019) S. 303 - 306

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

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Select result number 112

112

Journal Article

Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization

Bleffert, Florian
2019

Acta crystallographica / F Structural biology communications Section F, F75 (2019) 4, S. 270 - 277

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

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Select result number 113

113

Journal Article

Phosphorylated tyrosine 93 of hepatitis C virus nonstructural protein 5A is essential for interaction with host c-Src and efficient viral replication

Klinker, Stefan
2019

The journal of biological chemistry, 294 (2019) S. 7388-7402

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

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Select result number 114

114

Journal Article

The tetrahydroxanthone-dimer phomoxanthone A is a strong inducer of apoptosis in cisplatin-resistant solid cancer cells

Wang, Chenyin
2019

Bioorganic & medicinal chemistry, 27 (2019) 19, S. 115044

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

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Select result number 115

115

Journal Article

Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics

Raudszus, Rick
2019

Bioorganic & medicinal chemistry, 27 (2019) 19, S. 115039 -

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

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Select result number 116

116

Journal Article

Rapid interpretation of small-angle X-ray scattering data

Weiel, Marie
2019

PLoS Computational Biology, 15 (2019) 3, S. e1006900 -

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

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Select result number 117

117

Journal Article

C-terminal Modulators of Heat Shock Protein of 90 kDa (HSP90): State of Development and Modes of Action

Bickel, David
2019

Bioorganic & medicinal chemistry, 27 (2019) 21, S. 115080

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

Published on 2019-08-26. Available in OpenAccess from 2021-08-26. Published on 2019-08-26. Available in OpenAccess from 2021-08-26.

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Select result number 118

118

Journal Article

Small-molecule inhibitors of nisin resistance protein NSR from the human pathogen Streptococcus agalactiae

Porta, Nicola
2019

Bioorganic & medicinal chemistry, 27 (2019) 20, S. 115079

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

Published on 2019-08-26. Available in OpenAccess from 2021-08-26. Published on 2019-08-26. Available in OpenAccess from 2021-08-26.

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Select result number 119

119

Journal Article

Trying to constrain the location of the QCD critical endpoint with lattice simulations

Fodor, Zoltán
2019

Nuclear physics / A, 982 (2019) S. 843 - 846

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

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Select result number 120

120

Journal Article

Partially inserted nascent chain unzips the lateral gate of the Sec translocon

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

“...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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