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Publications 2020

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Phylogeny and Structure of Fatty Acid Photodecarboxylases and Glucose-Methanol-Choline Oxidoreductases
Catalysts 10(9), 1072 - () [10.3390/catal10091072] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Loop 1 of APOBEC3C regulates its antiviral activity against HIV-1
Journal of molecular biology NA, S0022283620305891 () [10.1016/j.jmb.2020.10.014]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Substrate Elasticity Exerts Functional Effects on Primary Microglia
Frontiers in cellular neuroscience 14, 590500 () [10.3389/fncel.2020.590500] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis
Scientific reports 10(1), 5795 () [10.1038/s41598-020-62326-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Engineering and application of a biosensor with focused ligand specificity
Nature Communications 11(1), 4851 () [10.1038/s41467-020-18400-0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Automated and optimally FRET-assisted structural modeling
Nature Communications 11(1), 5394 () [10.1038/s41467-020-19023-1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution
Macromolecules NA, NA () [10.1021/acs.macromol.0c01896]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Deficiency of GABARAP but not its Paralogs Causes Enhanced EGF-induced EGFR Degradation
Cells 9(5), 1296 - () [10.3390/cells9051296] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Semisynthetic Analogs of the Antibiotic Fidaxomicin—Design, Synthesis, and Biological Evaluation
ACS medicinal chemistry letters NA, acsmedchemlett.0c00381 () [10.1021/acsmedchemlett.0c00381]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Role of Oxidized Gly25, Gly29, and Gly33 Residues on the Interactions of Aβ 1–42 with Lipid Membranes
ACS chemical neuroscience 11(4), 535-548 () [10.1021/acschemneuro.9b00558] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 53 - 61 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Binding Modes of Thioflavin T and Congo Red to the Fibril Structure of Amyloid-β(1–42)
Chemical communications 56, 7589-7592 () [10.1039/D0CC01161D] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration
Journal of chemical theory and computation 16(7), 4694–4705 () [10.1021/acs.jctc.0c00249] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Characterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae
Scientific reports 10(1), 15208 () [10.1038/s41598-020-72237-7] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2
Crystals 10(6), 496 - () [10.3390/cryst10060496] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Crystal Structure of a Proteolytic Fragment of the Sensor Histidine Kinase NarQ
Crystals 10(3), 149 - () [10.3390/cryst10030149] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Sensor Histidine Kinase NarQ Activates via Helical Rotation, Diagonal Scissoring, and Eventually Piston-Like Shifts
International journal of molecular sciences 21(9), 3110 - () [10.3390/ijms21093110] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Copper facilitated nickel oxy-hydroxide films as efficient synergistic oxygen evolution electrocatalyst
Journal of catalysis 384, 189 - 198 () [10.1016/j.jcat.2020.02.023] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A comparative pharmaco-metabolomic study of glutaminase inhibitors in glioma stem-like cells confirms biological effectiveness but reveals differences in target-specificity
Cell death discovery 6(1), 20 () [10.1038/s41420-020-0258-3] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular mechanism of light-driven sodium pumping
Nature Communications 11(1), 2137 () [10.1038/s41467-020-16032-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High-resolution structural insights into the heliorhodopsin family
Proceedings of the National Academy of Sciences of the United States of America 117(8), 4131 - 4141 () [10.1073/pnas.1915888117] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On the Origin of the Anomalous Behavior of Lipid Membrane Properties in the Vicinity of the Chain-Melting Phase Transition
Scientific reports 10(1), 5749 () [10.1038/s41598-020-62577-9] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Safety and pharmacokinetics of the orally available antiprionic compound PRI‐002: A single and multiple ascending dose phase I study
Alzheimer's & dementia / Translational research & clinical interventions Translational research & clinical interventions [...] 6(1), e12001 () [10.1002/trc2.12001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Symmetry-breaking transitions in the early steps of protein self-assembly
European biophysics journal 49(2), 175 - 191 () [10.1007/s00249-020-01424-1] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Fluorophore-labeled cyclic nucleotides as potent agonists of cyclic nucleotide-regulated ion channels
ChemBioChem 21(16), 2311-2320 () [10.1002/cbic.202000116] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins
Nature Communications 11(1), 1725 () [10.1038/s41467-020-15441-3] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Farnesylation of human guanylate‐binding protein 1 as safety mechanism preventing structural rearrangements and uninduced dimerization
The FEBS journal 287(3), 496-514 () [10.1111/febs.15015] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks
Journal of chemical theory and computation 16(3), 1953-1967 () [10.1021/acs.jctc.9b00825] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermophoresis: The Case of Streptavidin and Biotin
Polymers 12(2), 376 - () [10.3390/polym12020376] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Systematically scrutinizing the impact of substitution sites on thermostability and detergent tolerance for Bacillus subtilis lipase A
Journal of chemical information and modeling 60(3), 1568-1584 () [10.1021/acs.jcim.9b00954] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
Molecules 25(14), 3193 - () [10.3390/molecules25143193] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under 15N DP-MAS DNP
Journal of magnetic resonance 312, 106688 - () [10.1016/j.jmr.2020.106688] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Bioluminescence Imaging of Neuroinflammation in a Mouse Model of Parkinson’s Disease
Bioluminescent Imaging / Ripp, Steven (Editor) ; New York, NY : Springer US, 2020, Chapter 10 ; ISSN: 1064-3745=1940-6029 ; ISBN: 978-1-4939-9939-2=978-1-4939-9940-8 ; doi:10.1007/978-1-4939-9940-8 New York, NY : Springer US, Methods in Molecular Biology 2081, 147 - 159 () [10.1007/978-1-4939-9940-8_10]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Expanding crystallization tools for nucleic acid complexes using U1A protein variants
Journal of structural biology 210(2), 107480 - () [10.1016/j.jsb.2020.107480] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Clustering of human prion protein and α-synuclein oligomers requires the prion protein N-terminus
Communications biology 3(1), 365 () [10.1038/s42003-020-1085-z] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Resolving dynamics and function of transient states in single enzyme molecules
Nature Communications 11(1), 1231 () [10.1038/s41467-020-14886-w] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The GABARAP Co-Secretome Identified by APEX2-GABARAP Proximity Labelling of Extracellular Vesicles
Cells 9(6), 1468 - () [10.3390/cells9061468] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Strong Adverse Contribution of Conformational Dynamics to Streptavidin-Biotin Binding
The journal of physical chemistry <Washington, DC> / B 124(2), 324-335 () [10.1021/acs.jpcb.9b08467] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools
The journal of chemical physics 152(22), 221103 - () [10.1063/5.0007630] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Phosphorylated peptide of G protein-coupled receptor induces dimerization in activated arrestin
Scientific reports 10(1), 10938 () [10.1038/s41598-020-67944-0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cell type-dependent escape of capsid inhibitors by simian immunodeficiency virus SIVcpz
Journal of virology 94(23), e01338-20 () [10.1128/JVI.01338-20] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A
Journal of computational chemistry 4(6), 500-512 () [10.1002/jcc.26085] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular Architecture of a Network of Potential Intracellular EGFR Modulators Involving the Juxtamembrane Segment, ARNO, Phospholipids and CaM
Structure 28, 54-62 () [10.2139/ssrn.3441425] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation
Scientific reports 10(1), 3578 () [10.1038/s41598-020-60093-4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dimerization energetics of the G‐protein coupled bile acid receptor TGR5 from all‐atom simulations
Journal of computational chemistry 41(9), 874-884 () [10.1002/jcc.26135] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS


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