Articles

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)
The Transition of Photoreceptor Guanylate Cyclase Type 1 to the Active State, Manisha Kumari Shahu, Fabian Schuhmann, Alexander Scholten, Ilia A. Solov'yov, Karl-Wilhelm Koch, International Journal of Molecular Sciences, 23, 4030-(1-17), (2022)
Local elastic properties of polystyrene nanocomposites increase significantly due to nonaffine deformations, Yaroslav M. Beltukov, Dmitry A. Conyuh, Ilia A. Solov'yov, Physical Review E, 105, L012501-(1-6), (2022)
Modelling structural properties of cyanine dye nanotubes at coarse-grained level, Ilias Patmanidis, Paulo C. T. Souza, Selim Sami, Remco W. A. Havenith, Alex H. de Vries, Siewert J. Marrink, Nanoscale Advances, 4, 3033-3042, (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)
Model-QED-operator approach to relativistic calculations of the nuclear recoil effect in many-electron atoms and ions, Irina S. Anisimova, A. V. Malyshev, D. A. Glazov, M. Y. Kaygorodov, Y. S. Kozhedub, G. Plunien, V. M. Shabaev, Physical Review A, 106, 062823, (2022)
2021
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Nuclear polarization effects in cryptochrome-based magnetoreception, Siu Ying Wong, Ilia A. Solov'yov, P.J. Hore, Daniel R. Kattnig, Journal of Physical Chemistry, 154, 035102, (2021)