JuLib | Articles & more - {"Jülich Supercomputing Center; JSC"}

1

Journal Article

The metagenome‐derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate ( PET )

Zhang, Hongli
2024

The FEBS journal, 291 (2024) 1, S. 70-91

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

2

Journal Article

Combining structural and coevolution information to unveil allosteric sites

La Sala, Giuseppina
2023

Chemical science, 14 (2023) 25, S. 7057-7067

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

3

Journal Article

Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations

Dittrich, Jonas
2023

Journal of chemical theory and computation, 19 (2023) 8, S. 2389 - 2409

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2023-04-06. Available in OpenAccess from 2024-04-06.

4

Journal Article

Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes

Marasco, Ramona
2023

Nature Communications, 14 (2023) 1, S. 1045

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

5

Journal Article

A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatment

Kaiser, Jesko
2023

Toxicology letters, 373 (2023) S. 160-171

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2022-11-26. Available in OpenAccess from 2023-11-26.

6

Journal Article

Development of a scoring function for comparing simulated and experimental tumor spheroids

Herold, Julian
2023

PLoS Computational Biology, 19 (2023) 3, S. e1010471 -

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

7

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...”
Get full text OpenAccess OpenAccess

8

Journal Article

TopEnzyme: a framework and database for structural coverage of the functional enzyme space

van der Weg, Karel J
2023

Bioinformatics, 39 (2023) 3, S. btad116

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text OpenAccess

9

Journal Article

Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels

Dittrich, Jonas
2023

The chemical engineering journal, 460 (2023) S. 141631

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2023-01-31. Available in OpenAccess from 2024-01-31.

10

Journal Article

Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions

El Harrar, Till
2023

Journal of chemical information and modeling, 63 (NA) 1, S. 281–298

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text OpenAccess

11

Journal Article

Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1

Cutsail, George
2022

Biophysical journal, 121 (2022) 20, S. 3862-3873

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

12

Journal Article

Physiological, Biochemical, and Structural Bioinformatic Analysis of the Multiple Inositol Dehydrogenases from Corynebacterium glutamicum

Ramp, Paul
2022

Microbiology spectrum, 10 (2022) 5, S. e01950-22

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text OpenAccess OpenAccess

13

Journal Article

Protein engineering for feedback resistance in 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase

Jayaraman, Kumaresan
2022

Applied microbiology and biotechnology, 106 (2022) S. 6505–6517

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

14

Journal Article

Met/Val129 polymorphism of the full-length human prion protein dictates distinct pathways of amyloid formation

Pauly, Thomas
2022

Journal of Biological Chemistry The journal of biological chemistry, 298 298 (2022 2022) 10 10, S. 102430 102430

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

15

Journal Article

Vasor: Accurate prediction of variant effects for amino acid substitutions in multidrug resistance protein 3

Behrendt, Annika
2022

Hepatology communications, 6 (2022) 11, S. 3098-3111

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

16

Proceedings
Book

NIC Symposium 2022 Proceedings

Müller, M.
2022

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

17

Journal Article

Uncoupling of Voltage- and Ligand-Induced Activation in HCN2 Channels by Glycine Inserts

Yüksel, Sezin
2022

Frontiers in physiology, 13 (2022) S. 895324

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

18

Contribution to a book
Contribution to a conference proceedings

Perspectives of Quantum Computing at the Jülich Supercomputing Centre

Lippert, Thomas
2022

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

19

Journal Article

Single MHC‐I Expression Promotes Virus‐Induced Liver Immunopathology

Xu, Haifeng C.
2022

Hepatology communications, 6 (2022) 7, S. 1620-1633

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

20

Journal Article

Structural, mechanistic and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa

Bleffert, Florian
2022

eLife, 11 (2022) S. e72824

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text OpenAccess

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