Jean-Noël Grad
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PhD student
| Office: | 1.041 |
|---|---|
| Phone: | +49 711 685-67715 |
| Fax: | +49 711 685-63658 |
| Email: | jgrad _at_ icp.uni-stuttgart.de |
| Address: | Jean-Noël Grad Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany |
Research software engineer
ORCID: 0000-0002-5821-4912
GitHub: jngrad
Publications
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Rafieiolhosseini, Neda and Killa, Matthias and Neumann, Thorben and Tötsch, Niklas and Grad, Jean-Noël and Höing, Alexander and Dirksmeyer, Thies and Niemeyer, Jochen and Ottmann, Christian and Knauer, Shirley K. and Giese, Michael and Voskuhl, Jens and Hoffmann, Daniel.
"Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups".
Beilstein Journal of Organic Chemistry 18(1322–1331), 2022.
[PDF] (4 MB) [DOI]
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Meiners, Annika and Bäcker, Sandra and Hadrović, Inesa and Heid, Christian and Beuck, Christine and Ruiz-Blanco, Yasser B. and Mieres-Perez, Joel and Pörschke, Marius and Grad, Jean-Noël and Vallet, Cecilia and Hoffmann, Daniel and Bayer, Peter and Sánchez-García, Elsa and Schrader, Thomas and Knauer, Shirley K..
"Specific inhibition of the Survivin–CRM1 interaction by peptide-modified molecular tweezers".
Nature Communications 12(1)(1505), 2021.
[PDF] (3 MB) [DOI]
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Anzt, Hartwig and Bach, Felix and Druskat, Stephan and Löffler, Frank and Loewe, Axel and Renard, Bernhard Y. and Seemann, Gunnar and Struck, Alexander and Achhammer, Elke and Aggarwal, Piush and Appel, Franziska and Bader, Michael and Brusch, Lutz and Busse, Christian and Chourdakis, Gerasimos and Dabrowski, Piotr Wojciech and Ebert, Peter and Flemisch, Bernd and Friedl, Sven and Fritzsch, Bernadette and Funk, Maximilian D. and Gast, Volker and Goth, Florian and Grad, Jean-Noël and Hegewald, Jan and Hermann, Sibylle and Hohmann, Florian and Janosch, Stephan and Kutra, Dominik and Linxweiler, Jan and Muth, Thilo and Peters-Kottig, Wolfgang and Rack, Fabian and Raters, Fabian H.C. and Rave, Stephan and Reina, Guido and Reißig, Malte and Ropinski, Timo and Schaarschmidt, Joerg and Seibold, Heidi and Thiele, Jan P. and Uekermann, Benjamin and Unger, Stefan and Weeber, Rudolf.
"An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action [version 2; peer review: 2 approved]".
F1000Research 9(295), 2021.
[PDF] (912 KB) [DOI]
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Flemisch, Bernd and Hermann, Sibylle and Holm, Christian and Mehl, Miriam and Reina, Guido and Uekermann, Benjamin and Boehringer, David and Ertl, Thomas and Grad, Jean-Noël and Iglezakis, Dorothea and Jaust, Alexander and Koch, Timo and Seeland, Anett and Weeber, Rudolf and Weik, Florian and Weishaupt, Kilian.
"Umgang mit Forschungssoftware an der Universität Stuttgart".
Technical report, Universität Stuttgart, 2020.
[PDF] (134 KB) [DOI]
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Gigante, Alba and Grad, Jean-Noël and Briels, Jeroen and Bartel, Maria and Hoffmann, Daniel and Ottmann, Christian and Schmuck, Carsten.
"A new class of supramolecular ligands stabilizes 14-3-3 protein–protein interactions by up to two orders of magnitude".
Chemical Communications 55(111-114), 2019.
[PDF] (3 MB) [DOI]
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Grad, Jean-Noël and Gigante, Alba and Wilms, Christoph and Dybowski, Jan Nikolaj and Ohl, Ludwig and Ottmann, Christian and Schmuck, Carsten and Hoffmann, Daniel.
"Locating Large, Flexible Ligands on Proteins".
Journal of Chemical Information and Modeling 58(2)(315-327), 2018.
[PDF] (5 MB) [Preprint] [DOI]
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Martin Ehlers and Jean-Noël Grad and Sumit Mittal and David Bier and Marcel Mertel and Ludwig Ohl and Maria Bartel and Jeroen Briels and Marius Heimann and Christian Ottmann and Elsa Sanchez-Garcia and Daniel Hoffmann and Carsten Schmuck.
"Rational Design, Binding Studies, and Crystal-Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14-3-3ζ Adapter Protein".
ChemBioChem 19(6)(591-595), 2018.
[PDF] (2 MB) [DOI]
Workshops
As a co-organizer:
- Simulating the dynamics of soft matter with ESPResSo, PyStencils and LbmPy, Institute for Computational Physics, University of Stuttgart, Germany, October 10th-14th, 2022, hybrid event.
- Combining particle-based and continuum modelling in soft matter physics with ESPResSo, PyStencils, and LbmPy, Institute for Computational Physics, University of Stuttgart, Germany, October 11th-15th 2021, hybrid event.
- ESPResSo and Python: Versatile Tools for Soft Matter Research, Institute for Computational Physics, University of Stuttgart, Germany, October 5th-9th 2020, online event.
- Active, Charged, and Magnetic Soft Matter Simulations with ESPResSo, Institute for Computational Physics, University of Stuttgart, Germany, October 7th-11th 2019.
As an attendee:
- Frank Gießelmann, Silke Wieprecht, Day of Teaching and Learning, “University of Stuttgart beyond THE LÄND!”, November 30th 2022, University of Stuttgart, Germany (online event).
- talk: Jean-Noël Grad, Rudolf Weeber, Christian Holm, Teaching soft matter physics to an international audience, in: Track 1 Courses taught in English (talk slides)
- DINI/nestor workshop Managing Research Software, September 15th-16th 2022, University of Stuttgart, Germany (hybrid event).
- talk: Jean-Noël Grad, Alexander Reinauer, Rudolf Weeber, Christian Holm, Managing sustainable and community-driven research software in physics (talk slides, workshop program)
- Software Engineering (SE) '22, February 21th-25th 2022, Department of Computer Science, Humboldt University of Berlin, Germany (online event).
- talk: Jean-Noël Grad, Rudolf Weeber, Markus Holzer and Christian Holm, Making use of established codes instead of re-inventing the wheel: Using lattice-based methods from waLBerla into ESPResSo, in: Track rSE 22 (talk slides).
- Lamprecht, Barker, Martinez. What do we (not) know about RSE? International Series of Online Research Software Events (SORSE), October 30th 2020.
- Lamprecht, Katz, Psomopoulos et al. FAIR 4 Research Software. International Series of Online Research Software Events (SORSE), November 19th 2020.
- notes published in Gruenpeter et al. SORSE2020 outputs for the FAIR4RS workshop. Zenodo, 2020.
- Loewe, Katerbow, Seemann, Bach, Druskat. Herausforderungen für die nachhaltige Entwicklung, Bereitstellung und Pflege von Forschungssoftware in Deutschland. deRSE19, Albert Einstein Science Park, Potsdam, Germany, June 5th 2019.
- Loewe, Bach, Druskat, Renard, Seemann. Nachhaltigkeit von Forschungssoftware. DFG-Rundgespräch, Robert Koch-Institut, Berlin, Germany, November 7th-8th 2019.
- notes published in Struck et al. A Guide for Publishing, Using, and Licensing Research Software in Germany, Zenodo, 2020.
- de-RSE Position 001 published in Anzt et al. An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action [version 2; peer review: 2 approved], F1000Research, 2021.
Teaching
- ESPResSo Block course (WiSe 20/21)
- ESPResSo Block course (WiSe 21/22)
- ESPResSo Block course (WiSe 22/23)