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Journal Article 279 Contribution to a book 212 Contribution to a conference proceedings 176 Conference Presentation 59 Talk (non-conference) 31 Book 29 Poster 18 more ... Dissertation / PhD Thesis 8 Proceedings 7 Diploma Thesis 1 Preprint 1 less ...

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101

Dissertation / PhD Thesis

Impact of enzyme rigidity and flexibility on stability against environmental influences, promiscuity, and expression on large-scale

Nutschel, Christina
2021

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Select result number 102

102

Journal Article

Presentation and discussion of the high-resolution atmosphere–land-surface–subsurface simulation dataset of the simulated Neckar catchment for the period 2007–2015

Schalge, Bernd
2021

Earth system science data, 13 (2021) 9, S. 4437 - 4464

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103

Journal Article

Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity

Ahmad, Sabahuddin
2021

Journal of chemical information and modeling, 61 (2021) 11, S. 5626–5643

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Get full text Published on 2021-11-08. Available in OpenAccess from 2022-11-08.

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Select result number 104

104

Journal Article

Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity

Jaladanki, Chaitanya K.
2021

Chemical research in toxicology, 34 (2021) 6, S. 1503–1517

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Restricted Published on 2021-04-26. Available in OpenAccess from 2022-04-26.

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Select result number 105

105

Journal Article

Assembly of Multi‐Spheroid Cellular Architectures by Programmable Droplet Merging

Cui, Haijun
2021

Advanced materials, 33 (2021) 4, S. 2006434 -

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Select result number 106

106

Journal Article

40 Years of Research on Polybrominated Diphenyl Ethers (PBDEs)—A Historical Overview and Newest Data of a Promising Anticancer Drug

Schmitt, Laura
2021

Molecules, 26 (2021) 4, S. 995 -

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Select result number 107

107

Journal Article

Allosteric signaling in C-linker and cyclic nucleotide-binding domain of HCN2 channels

Pfleger, Christopher
2021

Biophysical journal, 120 (2021) 5, S. 950-963

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Restricted Published on 2021-01-28. Available in OpenAccess from 2022-01-28.

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Select result number 108

108

Journal Article

P-wave two-particle bound and scattering states in a finite volume including QED

Stellin, Gianluca
2021

The European physical journal / A, 57 (2021) 1, S. 26

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Select result number 109

109

Journal Article

Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation

David, Benoit
2021

Journal of enzyme inhibition and medicinal chemistry, 36 (2021) 1, S. 491 - 496

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Select result number 110

110

Journal Article

A promiscuous ancestral enzyme´s structure unveils protein variable regions of the highly diverse metallo-β-lactamase family

Perez-Garcia, Pablo
2021

Communications biology, 4 (2021) 1, S. 132

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Select result number 111

111

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

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Select result number 112

112

Journal Article

TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks

Mulnaes, Daniel
2021

Journal of chemical theory and computation, 17 (2021) 11, S. 7281 - 7289

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Get full text Published on 2021-10-18. Available in OpenAccess from 2022-10-18.

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Select result number 113

113

Journal Article

AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools

Schepers, Bastian
2020

The Journal of Chemical Physics The journal of chemical physics, 152 152 (2020 2020) 22 22, S. 221103 221103

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12.

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Select result number 114

114

Preprint

Simulation of the record Arctic stratospheric ozone depletion in 2020

Grooß, Jens-Uwe
2020

2020

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Select result number 115

115

Journal Article

pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences

Zerihun, Mehari B
2020

Bioinformatics, 36 (2020) 7, S. 2264 - 2265

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Published on 2019-11-28. Available in OpenAccess from 2020-11-28. Restricted Published on 2019-11-28. Available in OpenAccess from 2020-11-28.

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Select result number 116

116

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

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Select result number 117

117

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

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Select result number 118

118

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

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Select result number 119

119

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

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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Select result number 120

120

Journal Article

Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization

Haags, Anja
2020

ACS nano, 14 (2020) 11, S. 15766 - 15775

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

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