Supporting Information
| Supporting Information File 1: General information and instrumentation, cluster analysis, electrostatic potential surface of 14-3-3ζ, total energy of a simulation. | ||
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| Supporting Information File 2: PDB2PQR output for lysine. | ||
| Format: XLSX | Size: 9.9 KB | Download |
| Supporting Information File 3: PDB2PQR output for GCP. | ||
| Format: XLSX | Size: 10.2 KB | Download |
Cite the Following Article
Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups
Neda Rafieiolhosseini, Matthias Killa, Thorben Neumann, Niklas Tötsch, Jean-Noël Grad, Alexander Höing, Thies Dirksmeyer, Jochen Niemeyer, Christian Ottmann, Shirley K. Knauer, Michael Giese, Jens Voskuhl and Daniel Hoffmann
Beilstein J. Org. Chem. 2022, 18, 1322–1331.
https://doi.org/10.3762/bjoc.18.137
How to Cite
Rafieiolhosseini, N.; Killa, M.; Neumann, T.; Tötsch, N.; Grad, J.-N.; Höing, A.; Dirksmeyer, T.; Niemeyer, J.; Ottmann, C.; Knauer, S. K.; Giese, M.; Voskuhl, J.; Hoffmann, D. Beilstein J. Org. Chem. 2022, 18, 1322–1331. doi:10.3762/bjoc.18.137
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Scholarly Works
- Höing, A.; Struth, R.; Beuck, C.; Rafieiolhosseini, N.; Hoffmann, D.; Stauber, R. H.; Bayer, P.; Niemeyer, J.; Knauer, S. K. Dual activity inhibition of threonine aspartase 1 by a single bisphosphate ligand. RSC advances 2022, 12, 34176–34184. doi:10.1039/d2ra06019a
- Aljabal, G.; Yap, B. K. In Silico Studies on GCP-Lys-OMe as a Potential 14-3-3σ Homodimer Stabilizer. Pharmaceuticals (Basel, Switzerland) 2022, 15, 1290. doi:10.3390/ph15101290
