Difference between revisions of "Jean-Noël Grad"

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(ORCID and publications)
(Add papers and workshops)
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=== Publications ===
 
=== Publications ===
  
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<bibentry>szuttor21a</bibentry>
 
<bibentry>anzt21a</bibentry>
 
<bibentry>anzt21a</bibentry>
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<bibentry>szuttor20a-pre</bibentry>
 
 
<bibentry>flemisch20a</bibentry>
 
<bibentry>flemisch20a</bibentry>
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<bibentry>smolin20a</bibentry>
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<bibentry>gigante19a</bibentry>
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<bibentry>grad18a</bibentry>
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<bibentry>ehlers18a</bibentry>
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=== Workshops ===
 +
 +
As a co-organizer:
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* ''ESPResSo and Python: Versatile Tools for Soft Matter Research'', Institute for Computational Physics, Universität Stuttgart, Germany, October 5th-9th 2020, online event. [https://www.cecam.org/workshop-details/28 URL]
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* ''Active, Charged, and Magnetic Soft Matter Simulations with ESPResSo'', Institute for Computational Physics, Universität Stuttgart, Germany, October 7th-11th 2019. [https://web.archive.org/web/20191125181540/https://www.cecam.org/workshop1754/ URL]
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<br>
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As an attendee:
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* Lamprecht, Barker, Martinez. ''What do we (not) know about RSE?'' International Series of Online Research Software Events (SORSE), October 30th 2020. [https://doi.org/10.5281/zenodo.4430813 DOI]
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* Lamprecht, Katz, Psomopoulos et al. ''FAIR 4 Research Software''. International Series of Online Research Software Events (SORSE), November 19th 2020. [https://doi.org/10.5281/zenodo.4430815 DOI]
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** notes published in Gruenpeter et al. ''SORSE2020 outputs for the FAIR4RS workshop''. Zenodo, 2020. [https://doi.org/10.5281/zenodo.4355231 DOI]
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* 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. [https://de-rse.org/en/conf2019/talk/PVEXDH/ URL]
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* 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. [https://doi.org/10.5281/zenodo.4327148 DOI]
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** 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. [http://dx.doi.org/10.12688/f1000research.23224.2 DOI]
  
 
=== Teaching ===
 
=== Teaching ===
  
 
* [https://campus.uni-stuttgart.de/cusonline/pl/ui/$ctx;design=pl;header=max;lang=en/wbLv.wbShowLVDetail?pStpSpNr=270214&pSpracheNr=1 ESPResSo Block course] (WS 20/21)
 
* [https://campus.uni-stuttgart.de/cusonline/pl/ui/$ctx;design=pl;header=max;lang=en/wbLv.wbShowLVDetail?pStpSpNr=270214&pSpracheNr=1 ESPResSo Block course] (WS 20/21)

Revision as of 19:15, 4 February 2021

Placeholder.jpg
Jean-Noël Grad
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

  • Kai Szuttor, Florian Weik, Jean-Noël Grad, Christian Holm.
    Modeling the current modulation of bundled DNA structures in nanopores.
    The Journal of Chemical Physics 154(5):054901, 2021.
    [PDF] (3.0 MB) [Preprint] [DOI]
  • Hartwig Anzt, Felix Bach, Stephan Druskat, Frank Löffler, Axel Loewe, Bernhard Y. Renard, Gunnar Seemann, Alexander Struck, Elke Achhammer, Piush Aggarwal, Franziska Appel, Michael Bader, Lutz Brusch, Christian Busse, Gerasimos Chourdakis, Piotr Wojciech Dabrowski, Peter Ebert, Bernd Flemisch, Sven Friedl, Bernadette Fritzsch, Maximilian D. Funk, Volker Gast, Florian Goth, Jean-Noël Grad, Jan Hegewald, Sibylle Hermann, Florian Hohmann, Stephan Janosch, Dominik Kutra, Jan Linxweiler, Thilo Muth, Wolfgang Peters-Kottig, Fabian Rack, Fabian H.C. Raters, Stephan Rave, Guido Reina, Malte Reißig, Timo Ropinski, Joerg Schaarschmidt, Heidi Seibold, Jan P. Thiele, Benjamin Uekermann, Stefan Unger, Rudolf Weeber.
    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) [Preprint] [DOI]
  • Bernd Flemisch, Sibylle Hermann, Christian Holm, Miriam Mehl, Guido Reina, Benjamin Uekermann, David Boehringer, Thomas Ertl, Jean-Noël Grad, Dorothea Iglezakis, Alexander Jaust, Timo Koch, Anett Seeland, Rudolf Weeber, Florian Weik, Kilian Weishaupt.
    Umgang mit Forschungssoftware an der Universität Stuttgart.
    Technical report, Universität Stuttgart, 2020.
    [PDF] (134 KB) [DOI]
  • Daniel Smolin, Niklas Tötsch, Jean-Noël Grad, Jürgen Linders, Farnusch Kaschani, Markus Kaiser, Michael Kirsch, Daniel Hoffmann, Thomas Schrader.
    Accelerated trypsin autolysis by affinity polymer templates.
    RSC Advances 10(48):28711-28719, 2020.
    [PDF] (1000 KB) [DOI]
  • Alba Gigante, Jean-Noël Grad, Jeroen Briels, Maria Bartel, Daniel Hoffmann, Christian Ottmann, Carsten Schmuck.
    A new class of supramolecular ligands stabilizes 14-3-3 protein–protein interactions by up to two orders of magnitude.
    Chemical Communications 55(1):111-114, 2019.
    [PDF] (2.1 MB) [DOI]
  • Jean-Noël Grad, Alba Gigante, Christoph Wilms, Jan Nikolaj Dybowski, Ludwig Ohl, Christian Ottmann, Carsten Schmuck, Daniel Hoffmann.
    Locating Large, Flexible Ligands on Proteins.
    Journal of Chemical Information and Modeling 58(2):315–327, 2018.
    [PDF] (4.8 MB) [Preprint] [DOI]
  • Martin Ehlers, Jean-Noël Grad, Sumit Mittal, David Bier, Marcel Mertel, Ludwig Ohl, Maria Bartel, Jeroen Briels, Marius Heimann, Christian Ottmann, Elsa Sanchez-Garcia, Daniel Hoffmann, 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] (1.2 MB) [DOI]


Workshops

As a co-organizer:

  • ESPResSo and Python: Versatile Tools for Soft Matter Research, Institute for Computational Physics, Universität Stuttgart, Germany, October 5th-9th 2020, online event. URL
  • Active, Charged, and Magnetic Soft Matter Simulations with ESPResSo, Institute for Computational Physics, Universität Stuttgart, Germany, October 7th-11th 2019. URL


As an attendee:

  • Lamprecht, Barker, Martinez. What do we (not) know about RSE? International Series of Online Research Software Events (SORSE), October 30th 2020. DOI
  • Lamprecht, Katz, Psomopoulos et al. FAIR 4 Research Software. International Series of Online Research Software Events (SORSE), November 19th 2020. DOI
    • notes published in Gruenpeter et al. SORSE2020 outputs for the FAIR4RS workshop. Zenodo, 2020. DOI
  • 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. URL
  • 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. DOI
    • 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. DOI

Teaching

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