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

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.

3

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

4

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

5

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.

6

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

7

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

8

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

9

Journal Article

Respiratory and C4-photosynthetic NAD-malic enzyme coexist in bundle sheath cell mitochondria and evolved via association of differentially adapted subunits

Hüdig, Meike
2022

The plant cell, 34 (2022) 1, S. 597–615

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

10

Journal Article

Unsaturated fatty acids augment protein transport via the SecA:SecYEG translocon

Kamel, Michael
2022

The FEBS journal, 289 (2022) 1, S. 140-162

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

11

Journal Article

Identification and Characterization of the Haloperoxidase VPO-RR from Rhodoplanes roseus by Genome Mining and Structure-Based Catalytic Site Mapping

Porta, Nicola
2022

Catalysts, 12 (2022) 10, S. 1195 -

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

12

Journal Article

Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho-C(sp2)-H-Hydroxylation

Berger, Alexander
2022

Pharmaceuticals, 15 (2022) 8, S. 984 -

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

13

Journal Article

A MademoiseLLE domain binding platform links the key RNA transporter to endosomes

Devan, Senthil-Kumar
2022

PLoS Genetics, 18 (2022) 6, S. e1010269 -

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

14

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

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

15

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

16

Journal Article

Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation Mutagenesis

El Harrar, Till
2022

Computational and structural biotechnology journal, 20 (2022) S. 399-409

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

17

Journal Article

Time-resolved structural analysis of an RNA-cleaving DNA catalyst

Borggräfe, Jan
2022

Nature , 601 (2022) S. 144-149

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2021-12-23. Available in OpenAccess from 2022-06-23. Restricted

18

Journal Article

Mapping the helix arrangement of the reconstituted ETR1 ethylene receptor transmembrane domain by EPR spectroscopy

Kugele, Anandi
2022

RSC Advances, 12 (2022) S. 7352 - 7356

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

19

Journal Article

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

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

20

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

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

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