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

61

Journal Article

Automated and optimally FRET-assisted structural modeling

Dimura, Mykola
2020

Nature Communications, 11 (2020) 1, S. 5394

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

62

Journal Article

Cell type-dependent escape of capsid inhibitors by simian immunodeficiency virus SIVcpz

Twizerimana, Augustin Penda
2020

Journal of virology, 94 (2020) 23, S. e01338-20

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2020-11-09. Available in OpenAccess from 2021-05-09. Published on 2020-11-09. Available in OpenAccess from 2021-05-09.

63

Journal Article

Characterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae

Furtmann, Fabia
2020

Scientific reports, 10 (2020) 1, S. 15208

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

64

Journal Article

Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution

Dittrich, Jonas
2020

Macromolecules, 53 (2020) 22, S. 9793–9810

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Published on 2020-11-04. Available in OpenAccess from 2021-11-04. Restricted

65

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

66

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

67

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

68

Journal Article

Fluorophore-labeled cyclic nucleotides as potent agonists of cyclic nucleotide-regulated ion channels

Lelle, Marco
2020

ChemBioChem, 21 (2020) 16, S. 2311-2320

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

69

Journal Article

Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins

Liedgens, Linda
2020

Nature Communications, 11 (2020) 1, S. 1725

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

70

Journal Article

Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis

Bonus, Michele
2020

Scientific reports, 10 (2020) 1, S. 5795

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

71

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

72

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

73

Journal Article

Loop 1 of APOBEC3C regulates its antiviral activity against HIV-1

Ayyappan Jaguva Vasudevan, Ananda
2020

Journal of molecular biology, 432 (2020) 23, S. 6200-6227

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-10-15. Available in OpenAccess from 2021-10-15. Published on 2020-10-15. Available in OpenAccess from 2021-10-15.

74

Journal Article

Semisynthetic Analogs of the Antibiotic Fidaxomicin—Design, Synthesis, and Biological Evaluation

Dorst, Andrea
2020

ACS medicinal chemistry letters, 11 (2020) 12, S. 2414–2420

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

75

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

76

Journal Article

Resolving dynamics and function of transient states in single enzyme molecules

Sanabria, Hugo
2020

Nature Communications, 11 (2020) 1, S. 1231

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

77

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...”
Get full text Get full text Restricted OpenAccess OpenAccess Restricted OpenAccess OpenAccess

78

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

79

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

80

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.

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