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John von Neumann - Institut für Computing; NIC

Forschergruppe Gohlke

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John von Neumann - Institut für Computing; NIC

Forschergruppe Gohlke

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Journal Article 54

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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

“...Computational Science and Mathematical Methods...”

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FK506 resistance of Saccharomyces cerevisiae Pdr5 and Candida albicans Cdr1 involves mutations in the transmembrane domains and extracellular loops

Tanabe, Koichi
2019

Antimicrobial agents and chemotherapy, 63 (2019) 1, S. e01146-18

“...Computational Science and Mathematical Methods...”

Published on 2018-12-21. Available in OpenAccess from 2019-06-21.

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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

“...Computational Science and Mathematical Methods...”

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

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

“...Computational Science and Mathematical Methods...”

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Posttranslational modification of the NADP-malic enzyme involved in C4 photosynthesis fine-tunes the enzymatic activity during the day

Bovdilova, Anastasiia
2019

The plant cell, 31 (2019) 10, S. 2525-2539

“...Computational Science and Mathematical Methods...”

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Biallelic mutation of human SLC6A6 encoding the taurine transporter TAUT is linked to early retinal degeneration

Preising, Markus N.
2019

The FASEB journal, 33 (2019) 10, S. 11507–11527

“...Computational Science and Mathematical Methods...”

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Isoform-specific Inhibition of N-methyl-D-aspartate Receptors by Bile Salts

Koch, Angela
2019

Scientific reports, 9 (2019) 1, S. 10068

“...Computational Science and Mathematical Methods...”

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Design, Synthesis and Biological Evaluation of β-Peptoid-Capped HDAC Inhibitors with Anti-Neuroblastoma and Anti-Glioblastoma Activity

Reßing, Nina
2019

MedChemComm, 10 (2019) 7, S. 1109-1115

“...Computational Science and Mathematical Methods...”

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Targeting HSP90 dimerization via the C-terminus is effective in imatinib resistant CML and lacks heat shock response

Bhatia, Sanil
2018

Blood, 132 (2018) 3, S. 307-320

“...Computational Science and Mathematical Methods...”

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Relevance of N-terminal residues for amyloid-β binding to platelet integrin α IIb β 3 , integrin outside-in signaling and amyloid-β fibril formation

Donner, Lili
2018

Cellular signalling, 50 (2018) S. 121 - 130

“...Computational Science and Mathematical Methods...”

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TopScore: Using Deep Neural Networks and Large Diverse Data Sets for Accurate Protein Model Quality Assessment

Mulnaes, Daniel
2018

Journal of chemical theory and computation, 14 (2018) 11, S. 6117–6126

“...Computational Science and Mathematical Methods...”

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Hydrophobic alkyl chains substituted to the 8-position of cyclic nucleotides enhance activation of CNG and HCN channels by an intricate enthalpy - entropy compensation

Otte, Maik
2018

Scientific reports, 8 (2018) 1, S. 14960

“...Computational Science and Mathematical Methods...”

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Interaction of Ochratoxin A and Its Thermal Degradation Product 2′R-Ochratoxin A with Human Serum Albumin

Sueck, Franziska
2018

Toxins, 10 (2018) 7, S. 256 -

“...Computational Science and Mathematical Methods...”

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Recognition motif and mechanism of ripening inhibitory peptides in plant hormone receptor ETR1

Milić, Dalibor
2018

Scientific reports, 8 (2018) 1, S. 3890

“...Computational Science and Mathematical Methods...”

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Publications database 54 Open Access 43

Journal Article 54

Gohlke, Holger 54 Bonus, Michele 12 Gertzen, Christoph 9 Häussinger, Dieter 7 Frieg, Benedikt 5 Jaeger, Karl-Erich 5 more ... Schmitt, Lutz 5 Kurz, Thomas 4 Mulnaes, Daniel 4 Pfleger, Christopher 4 Schott-Verdugo, Stephan 4 Smits, Sander H. J. 4 Benndorf, Klaus 3 Bickel, David 3 Gremer, Lothar 3 Groth, Georg 3 Hansen, Finn K. 3 Kassack, Matthias U. 3 Kovacic, Filip 3 Otte, Maik 3 Porta, Nicola 3 Qvartskhava, Natalia 3 Schmidt, Denis 3 Seidel, Claus A. M. 3 Bauer, Petra 2 Bhatia, Sanil 2 Borkhardt, Arndt 2 Dimura, Mykola 2 Dittrich, Jonas 2 Dollinger, Peter 2 see all ... less ...

Computational Science and Mathematical Methods 54 Forschergruppe Gohlke Biological and environmental resources for sustainable use 4 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 4 Physical Basis of Diseases 4 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 4 more ... Biological Key Regulators and Small Chemical Compounds 3 Biotechnology 3 Disinhibition and inhibition of HCN2 channel function by ligand binding to the cyclic nucleotide bin 3 Functional Macromolecules and Complexes 3 Analysis of the conformational changes during activation of lipase A by its foldase 2 Bioeconomy Science Center 2 Conformational dynamics of the unbound lipase-specific foldase Lif 2 Energetic and structural characterization of the activation processes of the human HCN2 ion channel 2 Theory, modelling and simulation 2 Antagonists of the TGR5 G-protein complex formation 1 Anti-infectives 1 Disease Mechanisms and Model Systems 1 Doktorand ohne besondere Förderung 1 Energetics of the dimerization and G-protein coupling of the bile-acid sensing GPCR TGR5 1 Infections and cancer 1 Molecular Signaling 1 Molecular mechanisms underlying PlbF activation/deactivation via dynamic association/dissociation 1 Plant Science 1 SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen 1 SFB 974: Kommunikation und Systemrelevanz bei Leberschädigung und Regeneration 1 Targeting spectrin redox switches to regulate the mechanoproperties of red blood cells 1 Zentrum für strukturelle Studien 1 see all ... less ...

John von Neumann - Institut für Computing; NIC Jülich Supercomputing Center; JSC 54 Strukturbiochemie; ICS-6 36 Strukturbiochemie; IBI-7 18 Bioinformatik; IBG-4 4 Institut für Molekulare Enzymtechnologie (HHUD); IMET 4 more ... Biotechnologie; IBG-1 2 Institut für Bioorganische Chemie (HHUD); IBOC 1 see all ... less ...

2019 25 2020 19 2018 6 2021 4

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