Publications

Watching Molecular Nanotubes Self-Assemble in Real Time, Maríck Manrho, Sundar Raj Krishnaswamy, Björn Kriete, Ilias Patmanidis, Alex H. de Vries, Siewert J. Marrink, Thomas L. C. Jansen, Jasper Knoester, Maxim S. Pshenichnikov, Journal of the American Chemical Society, 145, 22494-22503, (2023)
ForceFold: Extending AlphaFold with a ForceField Loss Term, Georg Manthey, (2023)
Could Methanochondroitin Polymers Be The Missing Link In Direct Interspecies Electron Transfer?, Jonathan Hungerland, Carl von Ossietzky University, Germany, 1 — 31, Master Thesis, Carl von Ossietzky University, (2023)
Computergestütztes Screening potentiell pharmakologisch wirksamer Liganden gegen das Frühsommer-Meningoenzephalitis-Virus: Ein Vergleich verschiedener Rezeptorstrukturmodelle, Felicitas Finke, Carl von Ossietzky University, Germany, 1 — 102, Bachelor Thesis, Carl von Ossietzky University, (2023)
Structural Reconstruction and Activation of Cryptochrome 4 from Atlantic Herring, Mandus Aldag, Carl von Ossietzky University, Germany, 1 — 42, Bachelor Thesis, Carl von Ossietzky University, (2023)
2022
0, (2022)
Effects of Dynamical Degrees of Freedom on Magnetic Compass Sensitivity: A Comparison of Plant and Avian Cryptochromes, Gesa Grüning, Siu Ying Wong, Luca Gerhards, Fabian Schuhmann, Daniel R. Kattnig, P. J. Hore, Ilia A. Solov'yov, Journal of the American Chemical Society, 144, 22902-22914, (2022)
Studying folding ↔ unfolding dynamics of solvated alanine polypeptides using molecular dynamics, Jonathan Hungerland, Anders Frederiksen, Luca Gerhards, Ilia A. Solov'yov, European Physical Journal D, 76, 154-(1-13), (2022)
The same, but different, but still the same: structural and dynamical differences of neutrophil elastase and cathepsin G, Fabian Schuhmann, Xiangyin Tan, Luca Gerhards, Heloisa N. Bordallo, Ilia A. Solov'yov, European Physical Journal D, 76, 126-(1-14), (2022)
Theoretical investigation of CH-bond activation by photocatalytic excited SO 2 and the effects of C-, N-, S-, and Se-doped TiO 2, Luca Gerhards, Thorsten Klüner, Physical Chemistry - Chemical Physics, 24, 2051-2069, Royal Society of Chemistry, (2022)