Articles

2022
0, 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)
On the energetic differences of avian cryptochromes 4 from selected species, Maja Hanić, Anders Frederiksen, Fabian Schuhmann, Ilia A. Solov'yov, European Physical Journal D, 76, 198-(1-14), (2022)
Long-Time Oxygen Localization in Electron Transfer Flavoprotein, K. Michael Salerno, Janna Domenico, Nam Q. Le, Christopher D. Stiles, Ilia A. Solov'yov, Carlos F. Martino, Journal of Chemical Information and Modeling, 62, 4191-4199, (2022)
Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations, Lars Elend, Luise Jacobsen, Tim Cofala, Jonas Prellberg, Thomas Teusch, Oliver Kramer, Ilia A. Solov'yov, Molecules, 27, 4020-(1-25), (2022)
Multiscale modeling of stochastic dynamics processes with MBN Explorer, Ilia A. Solov'yov, Gennady Sushko, Ida Friis, Andrey V. Solov'yov, Journal of Computational Chemistry, 43, 1442-1458, (2022)
Computational Reconstruction and Analysis of Structural Models of Avian Cryptochrome 4, Maja Hanić, Fabian Schuhmann, Anders Frederiksen, Corinna Langebrake, Georg Manthey, Miriam Liedvogel, Jingjing Xu, Henrik Mouritsen, Ilia A. Solov'yov, Journal of Physical Chemistry B, 126, 4623-4635, (2022)