Publications

Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process, Sara Matić, Ivana Kekez, Marko Tomin, Ferenc Bogár, Filip Šupljika, Saša Kazazić, Maja Hanić, Shalinee Jha, Hrvoje Brkić, Benjamin Bourgeois, Tobias Madl, Karl Gruber, Peter Macheroux, Dubravka Matković-Čalogović, Mihaela Matovina, Sanja Tomić, Journal of Biomolecular Structure and Dynamics, (2020)
Photodesorption mechanism of water on WO3(001) - a combined embedded cluster, computational intelligence and wave packet approach, Thomas Teusch, Thorsten Klüner, Physical Chemistry Chemical Physics, 22, 19267-19274, (2020)
2019
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Molecular Oxygen Binding in the Mitochondrial Electron Transfer Flavoprotein, Peter Husen, Claus Nielsen, Carlos F. Martino, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 59, 4868-4879, (2019)
MolSpin — Flexible and extensible general spin dynamics software, Claus Nielsen, Ilia A. Solov'yov, Journal of Physical Chemistry, 151, 194105-(1-13), (2019)
Prechondrogenic ATDC5 cell attachment and differentiation on graphene foam; modulation by surface functionalization with fibronectin, Stephanie M Frahs, Jonathon C Reeck, Katie M. Yocham, Anders Frederiksen, Kiyo Fujimoto, Crystal M Scott, Richard S Beard, Raquel Brown, Trevor J Lujan, Ilia A. Solov'yov, David Estrada, Julia Thom Oxford, ACS Applied Materials and Interfaces, 11, 41906-41924, (2019)
Modeling elastic properties of polystyrene through coarse-grained molecular dynamics simulations, Yaroslav M. Beltukov, Igor Gula, Alexander M. Samsonov, Ilia A. Solov'yov, European Physical Journal D, 73, 226-238, (2019)
Towards predicting intracellular radiofrequency radiation effects, Claus Nielsen, Ron Hui, Wing-Yee Lui, Ilia A. Solov'yov, PLoS ONE, 14, e0213286, (2019)
Modeling MesoBioNano systems with MBN Studio made easy, Gennady B.Sushko, Ilia A.Solov'yov, Andrey V.Solov'yov, Journal of Molecular Graphics and Modelling, 88, 247-260, (2019)
Application of molecular modeling to flavoproteins: insights and challenges, Emil Sjulstok, Ilia A. Solov'yov, Peter L. Freddolino, in: Methods in Enzymology: New approaches for Flavin Catalysis, edited by: Bruce A. Palfey, 277-314, Elsevier Aademic Press, (2019)