Jean-Noël Grad

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 and Florian Weik and Jean-Noël Grad and Christian Holm.
  "Modeling the current modulation of bundled DNA structures in nanopores".
  The Journal of Chemical Physics 154(5)(054901), 2021.
  [PDF] (3 MB) [DOI]

• Meiners, Annika and Bäcker, Sandra and Hadrovi\'c, 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]

• Rafieiolhosseini, Neda and Killa, Matthias and Tötsch, Niklas and Grad, Jean-Noël and Höing, Alexander and Ottmann, Christian and Knauer, Shirley K. and Voskuhl, Jens and Hoffmann, Daniel.
  "Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups".
  Beilstein Archives , 2021.
  [PDF] (2 MB) [DOI]

• 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 Rei\ssig, 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]

• 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]

• Smolin, Daniel and Tötsch, Niklas and Grad, Jean-Noël and Linders, Jürgen and Kaschani, Farnusch and Kaiser, Markus and Kirsch, Michael and Hoffmann, Daniel and Schrader, Thomas.
  "Accelerated trypsin autolysis by affinity polymer templates".
  RSC Advances 10(28711-28719), 2020.
  [PDF] (1000 KB) [DOI]

• 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]

• 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) [DOI]

• 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 14-3-3$\upzeta$ Adapter Protein".
  ChemBioChem 19(6)(591-595), 2018.
  [PDF] (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

• ESPResSo Block course (WS 20/21)