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Frieg, Benedikt AND Gohlke, Holger

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Frieg, Benedikt AND Gohlke, Holger

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Journal Article 12 Contribution to a book 1 Contribution to a conference proceedings 1

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Journal Article

Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin

Schmitz, Birte
2024

Archiv der Pharmazie, 357 (2024) 5, S. e2300612

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

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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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3

Journal Article

Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels

Kondapuram, Mahesh
2022

Communications biology, 5 (2022) 1, S. 430

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4

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Development of a First-in-Class Small-Molecule Inhibitor of the C-Terminal Hsp90 Dimerization

Bhatia, Sanil
2022

ACS central science, 8 (2022) 5, S. 636–655

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5

Journal Article

Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects

Gopalswamy, Mohanraj
2022

Scientific reports, 12 (2022) 1, S. 14158

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6

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

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7

Journal Article

Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways

El Harrar, Till
2021

Computational and structural biotechnology journal, 19 (2021) S. 4248-4264

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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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9

Journal Article

Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration

Frieg, Benedikt
2020

Journal of chemical theory and computation, 16 (2020) 7, S. 4694–4705

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

Get full text Published on 2020-06-17. Available in OpenAccess from 2021-06-17. Published on 2020-06-17. Available in OpenAccess from 2021-06-17. Get full text

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Contribution to a book
Contribution to a conference proceedings

Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)

Frieg, Benedikt
2020

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Journal Article

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

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

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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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Journal Article

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

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

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Publications database 13 Open Access 12

Journal Article 12 Contribution to a book 1 Contribution to a conference proceedings 1

Frieg, Benedikt Gohlke, Holger Gopalswamy, Mohanraj 3 Smits, Sander H. J. 3 Bhatia, Sanil 2 Bickel, David 2 more ... Bopp, Bertan 2 Borkhardt, Arndt 2 Diedrich, Daniela 2 Etzkorn, Manuel 2 Gremer, Lothar 2 Groth, Georg 2 Hansen, Finn K. 2 Hauer, Julia 2 Heise, Henrike 2 Homeyer, Nadine 2 Häussinger, Dieter 2 Jose, Joachim 2 Kurz, Thomas 2 Lang, Franziska 2 Nagel-Steger, Luitgard 2 Reiners, Jens 2 Willbold, Dieter 2 Aghaallaei, Narges 1 Ahlert, Heinz 1 Akter, Shahina 1 Babor, Florian 1 Bajohgli, Baubak 1 Becker, Nina 1 Beckmann, Roland 1 see all ... less ...

Forschergruppe Gohlke 10 Biological and environmental resources for sustainable use 7 Computational Science and Mathematical Methods 7 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 7 Molecular Information Processing in Cellular Systems 3 Physical Basis of Diseases 2 more ... Utilization of renewable carbon and energy sources and engineering of ecosystem functions 2 Biological Key Regulators and Small Chemical Compounds 1 Center for Simulation and Data Science (CSD) - School for Simulation and Data Science (SSD) 1 Disease Mechanisms 1 GRK 2158: Naturstoffe und Analoga gegen Therapie-resistente Tumoren und Mikroorganismen: Neue Leitstrukturen und Wirkmechanismen 1 Infections and cancer 1 Information Processing in Neuronal Networks 1 see all ... less ...

John von Neumann - Institut für Computing; NIC 13 Jülich Supercomputing Center; JSC 13 Strukturbiochemie; IBI-7 9 Bioinformatik; IBG-4 7 Strukturbiochemie; ICS-6 4 Institut für Molekulare Enzymtechnologie (HHUD); IMET 1

2020 3 2022 3 2019 2 2021 2 2018 1 2023 1 more ... 2024 1 see all ... less ...

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