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

1

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

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

2

Journal Article

Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation

Viegas, Aldino
2020

Scientific reports, 10 (2020) 1, S. 3578

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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3

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

4

Journal Article

The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A

Verma, Neha
2020

Journal of computational chemistry, 4 (2020) 6, S. 500-512

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Restricted

5

Journal Article

TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks

Mulnaes, Daniel
2020

Journal of chemical theory and computation, 16 (2020) 3, S. 1953-1967

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Restricted Restricted

6

Journal Article

Dimerization energetics of the G‐protein coupled bile acid receptor TGR5 from all‐atom simulations

Wäschenbach, Lucas
2020

Journal of computational chemistry, 41 (2020) 9, S. 874-884

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-12-27. Available in OpenAccess from 2020-12-27. Published on 2019-12-27. Available in OpenAccess from 2020-12-27. Restricted

7

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...”
OpenAccess OpenAccess OpenAccess OpenAccess

8

Journal Article

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

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2018-12-21. Available in OpenAccess from 2019-06-21.

9

Journal Article

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

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

10

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...”
OpenAccess OpenAccess

11

Journal Article

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

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

12

Journal Article

Basal Histamine H4 Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif

Wifling, David
2019

Chemistry - a European journal, 25 (2019) 64, S. 14613-14624

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

13

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...”

14

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...”
OpenAccess OpenAccess

15

Journal Article

PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein–Lipid-Bilayer System Building

Schott-Verdugo, Stephan
2019

Journal of chemical information and modeling, 59 (2019) 6, S. 2522-2528

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-05-23. Available in OpenAccess from 2020-05-23. Published on 2019-05-23. Available in OpenAccess from 2020-05-23. Restricted

16

Journal Article

Novel Fluorescent Cyclic Nucleotide Derivatives to Study CNG and HCN Channel Function

Otte, Maik
2019

Biophysical journal, 116 (2019) 12, S. 2411-2422

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2019-05-10. Available in OpenAccess from 2020-05-10. Published on 2019-05-10. Available in OpenAccess from 2020-05-10.

17

Journal Article

Calcium-promoted interaction between the C2-domain protein EHB1 and metal transporter IRT1 inhibits Arabidopsis iron acquisition

Khan, Imran
2019

Plant physiology, 180 (2019) 3, S. 1564-1581

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

18

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.

19

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.

20

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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