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Irradiation-driven molecular dynamics: a review

The Journal of Physical Chemistry B - September 2, 2021

Magnetic sensitivity of cryptochrome 4 from a migratory songbird

Introducing VIKING: A Novel Online Platform for Multiscale Modeling. V.Korol et al. ACS Omega, 5, 2, 1254-1260 (2020)

Prechondrogenic {ATDC5} cell attachment and differentiation on graphene foam; modulation by surface functionalization with fibronectin, S.M. Frahs et al, ACS Applied Materials and Interfaces 11, pp.41906-41924 (2019)

Et radikalt kompas viser fugelene vej. E. Sjulstok, C. Nielsen, I.A. Solov'yov. Aktuel Naturvidenskab 5, pp 30-33, (2018)

Atomistic Insights into Cryptochrome Interprotein Interactions. Sarafina M. Kimø, Ida Friis, Ilia A. Solov’yov, Biophysical Journal 115, 616-628, 2018

Electron transfer from ascorbic acid to a photo-activated state of cryptochrome could enhance the ability of the protein to respond to the Earth's magnetic field and so result in a more efficient magnetic compass sensor in night-migratory songbirds.

Charge Transfer at the Qo‑Site of the Cytochrome bc1 Complex Leads to Superoxide Production. Adrian Bøgh Salo, Peter Husen, Ilia A. Solov’yov. J. Phys. Chem. B, 121: 1771−1782, 2017.

Mechanism of the Primary Charge Transfer Reaction in the Cytochrome bc1 Complex. Angela M. Barragan, Klaus Schulten, Ilia A. Solov'yov. J. Phys. Chem. B, 120: 11369−11380, 2016.

Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology. Image credit: Ilia A. Solov’yov, Andrey V. Solov’yov. Eur. Phys. J. D, 70: 1-12, 2016.

Spontaneous Binding of Molecular Oxygen at the Qo-Site of the bc1 Complex Could Stimulate Superoxide Formation. Image credit: P. Husen, I.A. Solov'yov. URL: <a href='http://pubs.acs.org/doi/abs/10.1021/jacs.6b04849'>http://pubs.acs.org/doi/abs/10.1021/jacs.6b04849</a>.

Electron spin relaxation in cryptochrome-based magnetoreception. Image credit: Ilia A. Solov'yov, P. J. Hore, Daniel R. Kattnig. URL: <a href='http://dx.doi.org/10.1039/C5CP06731F'>http://dx.doi.org/10.1039/C5CP06731F</a>.

Identification of Ubiquinol Binding Motifs at the Qo-Site of the Cytochrome bc1 Complex; Image credit: Angela M. Barragan, Klaus Schulten, Ilia A. Solov'yov. URL: <a href='http://pubs.acs.org/doi/abs/10.1021/jp510022w'>http://pubs.acs.org/doi/abs/10.1021/jp510022w</a>

Efficient 3D Kinetic Monte Carlo Method for Modeling of Molecular Structure and Dynamics. Image credit: Mikhail Panshenskov, Ilia A. Solov'yov and Andrey V. Solov'yov. URL: <a href='http://onlinelibrary.wiley.com/doi/10.1002/jcc.23613/abstract'>http://onlinelibrary.wiley.com/doi/10.1002/jcc.23613/abstract</a>.

Publications

Year

Title

Author(s)

Abstract contains

Journal(s)

2022

0, (2022)

Studying folding ↔ unfolding dynamics of solvted alanine polypeptides using molecular dynamics, Jonathan Hungerland, Anders Frederiksen, Luca Gerhards, Ilia A. Solov'yov, European Physical Journal D, 76, 154, (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, (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, (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, The Journal of Physical Chemistry B, 126, 4623-4635, (2022)

Dynamics of Systems on the Nanoscale, Nanoscale, Lecture Notes in Nanoscale Science and Technology, edited by: Ilia A. Solov'yov and Alexey V. Verkhovtsev and Andrei V. Korol and Andrey V. Solov'yov, 34, Cham, Springer, (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)

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)

Multiscale Computational Modelling of MesoBioNano Systems, Gennady B. Sushko, Ilia A. Solov'yov, Andrey V. Solov'yov, in: Dynamics of Systems on the Nanoscale, edited by: Ilia A. Solov'yov and Alexey V. Verkhovtsev and Andrei V. Korol and Andrey V. Solov'yov, 95-136, Springer, (2022)