http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Agerschou, E. D. ; Borgmann, V. ; Wördehoff, M. M. ; Hoyer, W. (Corresponding author)FZJ*
Inhibitor and substrate cooperate to inhibit amyloid fibril elongation of α-synuclein
Chemical science 11(41), 11331 - 11337 (2020) [10.1039/D0SC04051G]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Aleksenko, V. A. ; Anand, D.FZJ* ; Remeeva, A. ; Nazarenko, V. V. ; Gordeliy, V.FZJ* ; Jaeger, K.-E.FZJ* ; Krauss, U.FZJ* ; Gushchin, I. (Corresponding author)FZJ*
Phylogeny and Structure of Fatty Acid Photodecarboxylases and Glucose-Methanol-Choline Oxidoreductases
Catalysts 10(9), 1072 - (2020) [10.3390/catal10091072]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ayyappan Jaguva Vasudevan, A. ; Balakrishnan, K. ; Gertzen, C.FZJ* ; Borvető, F. ; Zhang, Z. ; Sangwiman, A. ; Held, U. ; Küstermann, C. ; Banerjee, S. ; Schumann, G. G. ; Häussinger, D. ; Bravo, I. G. ; Gohlke, H.FZJ* ; Münk, C. (Corresponding author)
Loop 1 of APOBEC3C regulates its antiviral activity against HIV-1
Journal of molecular biology 432(23), 6200-6227 (2020) [10.1016/j.jmb.2020.10.014]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Blaschke, S. J.FZJ* ; Demir, S. ; König, A.FZJ* ; Abraham, J.-A.FZJ* ; Vay, S. U. ; Rabenstein, M. ; Olschewski, D. N. ; Hoffmann, C.FZJ* ; Hoffmann, M.FZJ* ; Hersch, N.FZJ* ; Merkel, R.FZJ* ; Hoffmann, B.FZJ* ; Schroeter, M. ; Fink, G. R.FZJ* ; Rueger, M. A. (Corresponding author)
Substrate Elasticity Exerts Functional Effects on Primary Microglia
Frontiers in cellular neuroscience 14, 590500 (2020) [10.3389/fncel.2020.590500]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Bonus, M. ; Sommerfeld, A. ; Qvartskhava, N. ; Görg, B. ; Ludwig, B. S. ; Kessler, H. ; Gohlke, H. (Corresponding author)FZJ* ; Häussinger, D. (Corresponding author)
Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis
Scientific reports 10(1), 5795 (2020) [10.1038/s41598-020-62326-y]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Bukhdruker, S. ; Varaksa, T. ; Grabovec, I. ; Marin, E. ; Shabunya, P. ; Kadukova, M. ; Grudinin, S. ; Kavaleuski, A. ; Gusach, A. ; Gilep, A. ; Borshchevskiy, V. (Corresponding author)FZJ* ; Strushkevich, N. (Corresponding author)
Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450
International journal of molecular sciences 21(20), 7683 - (2020) [10.3390/ijms21207683]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Caruso, I. P. ; Guimarães, G. C. ; Machado, V. B. ; Fossey, M. A. ; Willbold, D.FZJ* ; Almeida, F. C. L. ; Souza, F. P. (Corresponding author)
Biophysical and Dynamic Characterization of Fine-Tuned Binding of the Human Respiratory Syncytial Virus M2-1 Core Domain to Long RNAs
Journal of virology 94(23), e01505-20 (2020) [10.1128/JVI.01505-20]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Deike, S. ; Rothemund, S. ; Voigt, B. ; Samantray, S.FZJ* ; Strodel, B.FZJ* ; Binder, W. H. (Corresponding author)
β-Turn mimetic synthetic peptides as amyloid-β aggregation inhibitors
Bioorganic chemistry 101, 104012 - (2020) [10.1016/j.bioorg.2020.104012]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Della Corte, D.FZJ* ; van Beek, H.FZJ* ; Syberg, F. ; Schallmey, M.FZJ* ; Tobola, F.FZJ* ; Cormann, K.FZJ* ; Schlicker, C. ; Baumann, P. T.FZJ* ; Krumbach, K.FZJ* ; Sokolowsky, S.FZJ* ; Morris, C. J. ; Grünberger, A.FZJ* ; Hofmann, E. ; Schröder, G. F.FZJ* ; Marienhagen, J. (Corresponding author)FZJ*
Engineering and application of a biosensor with focused ligand specificity
Nature Communications 11(1), 4851 (2020) [10.1038/s41467-020-18400-0]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Automated and optimally FRET-assisted structural modeling
Nature Communications 11(1), 5394 (2020) [10.1038/s41467-020-19023-1]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Dittrich, J. ; Kather, M. ; Holzberger, A. ; Pich, A. ; Gohlke, H. (Corresponding author)FZJ*
Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution
Macromolecules 53(22), 9793–9810 (2020) [10.1021/acs.macromol.0c01896]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Dobner, J.FZJ* ; Simons, I. M.FZJ* ; Rufinatscha, K. ; Hänsch, S. ; Schwarten, M.FZJ* ; Weiergräber, O. H.FZJ* ; Abdollahzadeh, I.FZJ* ; Gensch, T.FZJ* ; Bode, J. G. ; Hoffmann, S.FZJ* ; Willbold, D. (Corresponding author)FZJ*
Deficiency of GABARAP but not its Paralogs Causes Enhanced EGF-induced EGFR Degradation
Cells 9(5), 1296 - (2020) [10.3390/cells9051296]2020   Files  Fulltext 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 11(12), 2414–2420 (2020) [10.1021/acsmedchemlett.0c00381]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article El-Kashef, D. H. ; Youssef, F. S. ; Hartmann, R.FZJ* ; Knedel, T.-O. ; Janiak, C. ; Lin, W. ; Reimche, I. ; Teusch, N. ; Liu, Z. ; Proksch, P. (Corresponding author)
Azaphilones from the Red Sea Fungus Aspergillus falconensis
Marine drugs 18(4), 204 - (2020) [10.3390/md18040204]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Fahlke, C. (Corresponding author)FZJ* ; Balandin, T.FZJ* ; Astashkin, R. ; Alleva, C.FZJ* ; Machtens, J.-P. (Corresponding author)FZJ* ; Gordeliy, V.FZJ* ; Baeken, C.FZJ* ; Kovalev, K.FZJ* ; Berndt, M.FZJ*
Na + -dependent gate dynamics and electrostatic attraction ensure substrate coupling in glutamate transporters
Science advances 6(47), eaba9854 - (2020) [10.1126/sciadv.aba9854]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Fatafta, H.FZJ* ; Poojari, C. ; Sayyed-Ahmad, A. ; Strodel, B.FZJ* ; Owen, M. (Corresponding author)FZJ*
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 (2020) [10.1021/acschemneuro.9b00558]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Fisette, O. ; Schröder, G. F.FZJ* ; Schäfer, L. V. (Corresponding author)
Atomistic structure and dynamics of the human MHC-I peptide-loading complex
Proceedings of the National Academy of Sciences of the United States of America 117(34), 20597 - 20606 (2020) [10.1073/pnas.2004445117]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a conference proceedings/Contribution to a book Frieg, B.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)
2020NIC 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 (2020)2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Frieg, B.FZJ* ; Gremer, L.FZJ* ; Heise, H.FZJ* ; Willbold, D.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
Binding Modes of Thioflavin T and Congo Red to the Fibril Structure of Amyloid-β(1–42)
Chemical communications 56, 7589-7592 (2020) [10.1039/D0CC01161D]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Frieg, B.FZJ* ; Goerg, B. ; Qvartskhava, N. ; Jeitner, T. ; Homeyer, N. ; Häussinger, D. ; Gohlke, H. (Corresponding author)FZJ*
Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration
Journal of chemical theory and computation 16(7), 4694–4705 (2020) [10.1021/acs.jctc.0c00249]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Furtmann, F. ; Porta, N. ; Hoang, D. T. ; Reiners, J. ; Schumacher, J. ; Gottstein, J. ; Gohlke, H.FZJ* ; Smits, S. H. J. (Corresponding author)
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 (2020) [10.1038/s41598-020-72237-7]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Geraets, J.FZJ* ; Pothula, K. R.FZJ* ; Schröder, G. F. (Corresponding author)FZJ*
Integrating cryo-EM and NMR data
Current opinion in structural biology 61, 173 - 181 (2020) [10.1016/j.sbi.2020.01.008]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Gordeliy, V. (Corresponding author)FZJ* ; Baeken, C.FZJ* ; Balandin, T.FZJ*
Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2
Crystals 10(6), 496 - (2020) [10.3390/cryst10060496]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Gushchin, I. (Corresponding author) ; Melnikov, I. ; Polovinkin, V.FZJ* ; Ishchenko, A.FZJ* ; Gordeliy, V. (Corresponding author)FZJ*
Crystal Structure of a Proteolytic Fragment of the Sensor Histidine Kinase NarQ
Crystals 10(3), 149 - (2020) [10.3390/cryst10030149]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Gushchin, I.FZJ* ; Orekhov, P. ; Melnikov, I.FZJ* ; Polovinkin, V.FZJ* ; Yuzhakova, A.FZJ* ; Gordeliy, V. (Corresponding author)FZJ*
Sensor Histidine Kinase NarQ Activates via Helical Rotation, Diagonal Scissoring, and Eventually Piston-Like Shifts
International journal of molecular sciences 21(9), 3110 - (2020) [10.3390/ijms21093110]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Illig, A.-M. ; Strodel, B. (Corresponding author)FZJ*
Performance of Markov State Models and Transition Networks on Characterizing Amyloid Aggregation Pathways from MD Data
Journal of chemical theory and computation 16(12), 7825 - 7839 (2020) [10.1021/acs.jctc.0c00727]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kerkmann, A. (Corresponding author)FZJ* ; Schneller, T. ; Valov, I.FZJ* ; Singh, I. B. ; Srivastava, A. K. ; Waser, R.FZJ*
Copper facilitated nickel oxy-hydroxide films as efficient synergistic oxygen evolution electrocatalyst
Journal of catalysis 384, 189 - 198 (2020) [10.1016/j.jcat.2020.02.023]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Koch, K. ; Hartmann, R.FZJ* ; Tsiampali, J. ; Uhlmann, C. ; Nickel, A.-C. ; He, X. ; Kamp, M. A. ; Sabel, M. ; Barker, R. A. ; Steiger, H.-J. ; Hänggi, D. ; Willbold, D.FZJ* ; Maciaczyk, J. ; Kahlert, U. D. (Corresponding author)
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 (2020) [10.1038/s41420-020-0258-3]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kovalev, K.FZJ* ; Astashkin, R. ; Gushchin, I. ; Orekhov, P. ; Volkov, D.FZJ* ; Zinovev, E.FZJ* ; Marin, E. ; Rulev, M. ; Alekseev, A. ; Royant, A. ; Carpentier, P. ; Vaganova, S.FZJ* ; Zabelskii, D.FZJ* ; Baeken, C.FZJ* ; Sergeev, I. ; Balandin, T.FZJ* ; Bourenkov, G. ; Carpena, X. ; Boer, R. ; Maliar, N. ; Borshchevskiy, V.FZJ* ; Büldt, G. ; Bamberg, E. ; Gordeliy, V. (Corresponding author)FZJ*
Molecular mechanism of light-driven sodium pumping
Nature Communications 11(1), 2137 (2020) [10.1038/s41467-020-16032-y]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kovalev, K. (Corresponding author)FZJ* ; Volkov, D.FZJ* ; Astashkin, R. ; Alekseev, A.FZJ* ; Gushchin, I. ; Haro-Moreno, J. M. ; Chizhov, I. ; Siletsky, S. ; Mamedov, M. ; Rogachev, A. ; Balandin, T.FZJ* ; Borshchevskiy, V.FZJ* ; Popov, A. ; Bourenkov, G. ; Bamberg, E. ; Rodriguez-Valera, F. ; Büldt, G. ; Gordeliy, V. (Corresponding author)FZJ*
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 (2020) [10.1073/pnas.1915888117]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Krueger, I. ; Gremer, L.FZJ* ; Mangels, L.FZJ* ; Klier, M. ; Jurk, K. ; Willbold, D.FZJ* ; Bock, H. H. ; Elvers, M. (Corresponding author)
Reelin Amplifies Glycoprotein VI Activation and AlphaIIb Beta3 Integrin Outside-In Signaling via PLC Gamma 2 and Rho GTPases
Arteriosclerosis, thrombosis, and vascular biology 40(10), 2391 - 2403 (2020) [10.1161/ATVBAHA.120.314902]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kuklin, A. ; Zabelskii, D.FZJ* ; Gordeliy, I. ; Teixeira, J. ; Brûlet, A. ; Chupin, V. ; Cherezov, V. (Corresponding author) ; Gordeliy, V. (Corresponding author)FZJ*
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 (2020) [10.1038/s41598-020-62577-9]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kutzsche, J.FZJ* ; Jürgens, D.FZJ* ; Willuweit, A.FZJ* ; Adermann, K. ; Fuchs, C. ; Simons, S.FZJ* ; Windisch, M. ; Hümpel, M. ; Rossberg, W. ; Wolzt, M. ; Willbold, D. (Corresponding author)FZJ*
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 (2020) [10.1002/trc2.12001]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article La Rosa, C. ; Condorelli, M. ; Compagnini, G. ; Lolicato, F. ; Milardi, D. ; Do, T. N. ; Karttunen, M. ; Pannuzzo, M. ; Ramamoorthy, A. ; Fraternali, F. ; Collu, F. ; Rezaei, H. ; Strodel, B.FZJ* ; Raudino, A. (Corresponding author)
Symmetry-breaking transitions in the early steps of protein self-assembly
European biophysics journal 49(2), 175 - 191 (2020) [10.1007/s00249-020-01424-1]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Lelle, M. ; Otte, M. ; Bonus, M. ; Gohlke, H.FZJ* ; Benndorf, K. (Corresponding author)
Fluorophore-labeled cyclic nucleotides as potent agonists of cyclic nucleotide-regulated ion channels
ChemBioChem 21(16), 2311-2320 (2020) [10.1002/cbic.202000116]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Liedgens, L. ; Zimmermann, J. ; Wäschenbach, L. ; Geissel, F. ; Laporte, H. ; Gohlke, H. (Corresponding author)FZJ* ; Morgan, B. (Corresponding author) ; Deponte, M. (Corresponding author)
Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins
Nature Communications 11(1), 1725 (2020) [10.1038/s41467-020-15441-3]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Lorenz, C.FZJ* ; Ince, S. ; Zhang, T. ; Cousin, A.FZJ* ; Batra‐Safferling, R.FZJ* ; Nagel‐Steger, L. ; Herrmann, C. ; Stadler, A. M. (Corresponding author)FZJ*
Farnesylation of human guanylate‐binding protein 1 as safety mechanism preventing structural rearrangements and uninduced dimerization
The FEBS journal 287(3), 496-514 (2020) [10.1111/febs.15015]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a book Loschwitz, J.FZJ* ; Olubiyi, O.FZJ* ; Hub, J. S. ; Strodel, B.FZJ* ; Poojari, C. (Corresponding author)
Computer simulations of protein–membrane systems
2020Progress in Molecular Biology and Translational Science Amsterdam [u.a.] : Elsevier 273-403 (2020)2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Preprint Loschwitz, J.FZJ* ; Jäckering, A.FZJ* ; Keutmann, M. ; Olagunju, M.FZJ* ; Eberle, R. J.FZJ* ; Coronado, M. A.FZJ* ; Olubiyi, O. O. ; Strodel, B. (Corresponding author)FZJ*
Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay
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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Maity, D. (Corresponding author) ; Kumar, S. ; AlHussein, R. ; Gremer, L.FZJ* ; Howarth, M. ; Karpauskaite, L. ; Hoyer, W.FZJ* ; Magzoub, M. ; Hamilton, A. D. (Corresponding author)
Sub-stoichiometric inhibition of IAPP aggregation: a peptidomimetic approach to anti-amyloid agents
RSC chemical biology 1(4), 225-232 (2020) [10.1039/D0CB00086H]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Marin, E. ; Luginina, A. ; Gusach, A. ; Kovalev, K. ; Bukhdruker, S. ; Khorn, P. ; Polovinkin, V. ; Lyapina, E. ; Rogachev, A. ; Gordeliy, V.FZJ* ; Mishin, A. ; Cherezov, V. ; Borshchevskiy, V. (Corresponding author)FZJ*
Small-wedge synchrotron and serial XFEL datasets for Cysteinyl leukotriene GPCRs
Scientific data 7(1), 388 (2020) [10.1038/s41597-020-00729-2]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mulnaes, D. ; Porta, N. ; Clemens, R. ; Apanasenko, I.FZJ* ; Reiners, J. ; Gremer, L.FZJ* ; Neudecker, P.FZJ* ; Smits, S. H. J. ; Gohlke, H. (Corresponding author)FZJ*
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 (2020) [10.1021/acs.jctc.9b00825]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Niether, D. (Corresponding author)FZJ* ; Sarter, M.RWTH* ; Koenig, B. W.FZJ* ; Fitter, J.FZJ* ; Stadler, A. M.FZJ* ; Wiegand, S. (Corresponding author)FZJ*
Thermophoresis: The Case of Streptavidin and Biotin
Polymers 12(2), 376 - (2020) [10.3390/polym12020376]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Nutschel, C.FZJ* ; Fulton, A. ; Zimmermann, O.FZJ* ; Schwaneberg, U. ; Jaeger, K.-E.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
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 (2020) [10.1021/acs.jcim.9b00954]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Oberleitner, L. ; Poschmann, G. ; Macorano, L. ; Schott-Verdugo, S. ; Gohlke, H.FZJ* ; Stühler, K. ; Nowack, E. C. M. (Corresponding author)
The Puzzle of Metabolite Exchange and Identification of Putative Octotrico Peptide Repeat Expression Regulators in the Nascent Photosynthetic Organelles of Paulinella chromatophora
Frontiers in microbiology 11, 607182 (2020) [10.3389/fmicb.2020.607182]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Olubiyi, O.FZJ* ; Olagunju, M.FZJ* ; Keutmann, M.FZJ* ; Loschwitz, J.FZJ* ; Strodel, B. (Corresponding author)FZJ*
High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
Molecules 25(14), 3193 - (2020) [10.3390/molecules25143193]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Park, H. (Corresponding author)FZJ*RWTH* ; Uluca-Yazgi, B.FZJ* ; Heumann, S. ; Schlögl, R. ; Granwehr, J.FZJ*RWTH* ; Heise, H.FZJ* ; Schleker, P. P. M.FZJ*
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 - (2020) [10.1016/j.jmr.2020.106688]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a book Ripp, S. (Editor) ; Bernis, M. E. ; Tamgüney, G. (Corresponding author)FZJ*
Bioluminescence Imaging of Neuroinflammation in a Mouse Model of Parkinson’s Disease
2020Bioluminescent 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 (2020) [10.1007/978-1-4939-9940-8_10]2020   Files BibTeX | EndNote: XML, Text | RIS

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Cryo-EM structure of islet amyloid polypeptide fibrils reveals similarities with amyloid-β fibrils
Nature structural & molecular biology 27(7), 660 - 667 (2020) [10.1038/s41594-020-0442-4]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Rosenbach, H. ; Victor, J. ; Borggräfe, J.FZJ* ; Biehl, R.FZJ* ; Steger, G. ; Etzkorn, M.FZJ* ; Span, I. (Corresponding author)
Expanding crystallization tools for nucleic acid complexes using U1A protein variants
Journal of structural biology 210(2), 107480 - (2020) [10.1016/j.jsb.2020.107480]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Rosenbach, H. ; Borggräfe, J.FZJ* ; Victor, J. ; Wuebben, C. ; Schiemann, O. ; Hoyer, W.FZJ* ; Steger, G.Extern* ; Etzkorn, M.FZJ* ; Span, I. (Corresponding author)FZJ*
Influence of monovalent metal ions on metal binding and catalytic activity of the 10–23 DNAzyme
Biological chemistry 402(1), 99 - 111 (2020) [10.1515/hsz-2020-0207]2020   Files  Fulltext 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 (2020) [10.1038/s42003-020-1085-z]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Samantray, S.FZJ* ; Yin, F.FZJ* ; Kav, B.FZJ* ; Strodel, B. (Corresponding author)FZJ*
Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics Simulations
Journal of chemical information and modeling 60(12), 6462 - 6475 (2020) [10.1021/acs.jcim.0c01063]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sanabria, H. (Corresponding author) ; Rodnin, D. ; Hemmen, K. ; Peulen, T.-O. ; Felekyan, S. ; Fleissner, M. R. ; Dimura, M. ; Koberling, F. ; Kühnemuth, R. ; Hubbell, W. ; Gohlke, H.FZJ* ; Seidel, C. A. M. (Corresponding author)
Resolving dynamics and function of transient states in single enzyme molecules
Nature Communications 11(1), 1231 (2020) [10.1038/s41467-020-14886-w]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sanwald, J. L.FZJ* ; Poschmann, G. ; Stühler, K. ; Behrends, C. ; Hoffmann, S. (Corresponding author)FZJ* ; Willbold, D. (Corresponding author)FZJ*
The GABARAP Co-Secretome Identified by APEX2-GABARAP Proximity Labelling of Extracellular Vesicles
Cells 9(6), 1468 - (2020) [10.3390/cells9061468]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sarter, M.FZJ* ; Niether, D.FZJ* ; König, B.FZJ* ; Lohstroh, W. ; Zamponi, M.FZJ* ; Jalarvo, N. H.Extern* ; Wiegand, S.FZJ* ; Fitter, J. (Corresponding author)FZJ* ; Stadler, A. M. (Corresponding author)FZJ*
Strong Adverse Contribution of Conformational Dynamics to Streptavidin-Biotin Binding
The journal of physical chemistry <Washington, DC> / B 124(2), 324-335 (2020) [10.1021/acs.jpcb.9b08467]2020   Files  Fulltext 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 (2020) [10.1063/5.0007630]2020   Files  Fulltext 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 (2020) [10.1038/s41598-020-67944-0]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Syllwasschy, B. F. ; Beck, M. S. ; Družeta, I. ; Hopp, M.-T. ; Ramoji, A. ; Neugebauer, U. ; Nozinovic, S. ; Menche, D. ; Willbold, D.FZJ* ; Ohlenschläger, O. ; Kühl, T. ; Imhof, D. (Corresponding author)
High-affinity binding and catalytic activity of His/Tyr-based sequences: Extending heme-regulatory motifs beyond CP
Biochimica et biophysica acta / General subjects 1864(7), 129603 - (2020) [10.1016/j.bbagen.2020.129603]2020   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Twizerimana, A. P. ; Scheck, R. ; Becker, D. ; Zhang, Z. ; Wammers, M. ; Avelar, L. ; Pflieger, M. ; Häussinger, D. ; Kurz, T. ; Gohlke, H.FZJ* ; Münk, C. (Corresponding author)
Cell type-dependent escape of capsid inhibitors by simian immunodeficiency virus SIVcpz
Journal of virology 94(23), e01338-20 (2020) [10.1128/JVI.01338-20]2020   Files  Fulltext 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 (2020) [10.1002/jcc.26085]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Viegas, A. ; Yin, D. M. ; Borggräfe, J. ; Viennet, T. ; Falke, M. ; Schmitz, A. ; Famulok, M. ; Etzkorn, M. (Corresponding author)FZJ*
Molecular Architecture of a Network of Potential Intracellular EGFR Modulators Involving the Juxtamembrane Segment, ARNO, Phospholipids and CaM
Structure 28, 54-62 (2020) [10.2139/ssrn.3441425]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Viegas, A. ; Dollinger, P. ; Verma, N. ; Kubiak, J. ; Viennet, T. ; Seidel, C. A. M.Extern* ; Gohlke, H. (Corresponding author)FZJ* ; Etzkorn, M. (Corresponding author)FZJ* ; Kovacic, F.FZJ* ; Jaeger, K.-E. (Corresponding author)FZJ*
Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation
Scientific reports 10(1), 3578 (2020) [10.1038/s41598-020-60093-4]2020   Files  Fulltext 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 (2020) [10.1002/jcc.26135]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Zabelskii, D.FZJ* ; Alekseev, A.FZJ* ; Kovalev, K.FZJ* ; Rankovic, V. ; Balandin, T.FZJ* ; Soloviov, D. ; Bratanov, D.FZJ* ; Savelyeva, E.FZJ* ; Podolyak, E. ; Volkov, D.FZJ* ; Vaganova, S.FZJ* ; Astashkin, R. ; Chizhov, I. ; Yutin, N. ; Rulev, M. ; Popov, A. ; Eria-Oliveira, A.-S. ; Rokitskaya, T. ; Mager, T. ; Antonenko, Y. ; Rosselli, R. ; Armeev, G. ; Shaitan, K. ; Vivaudou, M. ; Büldt, G. ; Rogachev, A. ; Rodriguez-Valera, F. ; Kirpichnikov, M. ; Moser, T. ; Offenhäusser, A.FZJ* ; Willbold, D.FZJ* ; Koonin, E. ; Bamberg, E. ; Gordeliy, V. (Corresponding author)FZJ*
Viral rhodopsins 1 are an unique family of light-gated cation channels
Nature Communications 11(1), 5707 (2020) [10.1038/s41467-020-19457-7]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Electrochemical dual-aptamer biosensors based on nanostructured multielectrode arrays for the detection of neuronal biomarkers
Nanoscale 12(31), 16501 - 16513 (2020) [10.1039/D0NR03421E]2020   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Zinke, M. ; Sachowsky, K. A. A. ; Öster, C. ; Zinn-Justin, S. ; Ravelli, R. ; Schröder, G. F.FZJ* ; Habeck, M. ; Lange, A. (Corresponding author)
Architecture of the flexible tail tube of bacteriophage SPP1
Nature Communications 11(1), 5759 (2020) [10.1038/s41467-020-19611-1]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS