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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>.

An Introduction to Cluster Science. Image credit: Paul-Gerhard Reinhard, Eric Suraud, Phuong Mai Dinh, Ilia A. Solov'yov, Andrey V. Solov'yov. URL: <a href='http://www.wiley.com/WileyCDA/WileyTitle/productCd-3527411186.html'>http://www.wiley.com/WileyCDA/WileyTitle/productCd-3527411186.html</a>.

An atomic model of the human immunodeficiency virus-1 (HIV-1) capsid within a representation of the viral envelope. Image credit: Juan R. Perilla, John Stone, Ilia A. Solov'yov, Olga Svinarski, Klaus Schulten and Peijun Zhang. URL: <a href='http://www.nature.com/nature/journal/v497/n7451/index.html'>http://www.nature.com/nature/journal/v497/n7451/index.html</a>

Decrypting Cryptochrome: Revealing the Molecular Identity of the Photoactivation. Image credit: Ilia A. Solov'yov, Tatiana Domratcheva, Abdul Rehaman Moughal Shahi, and Klaus Schulten. URL: <a href='http://pubs.acs.org/doi/abs/10.1021/ja3074819'>http://pubs.acs.org/doi/abs/10.1021/ja3074819</a>

MesoBioNano Explorer — A universal program for multiscale computer simulations of complex molecular structure and dynamics. Image credit: Ilia A. Solov'yov, Alexander V. Yakubovich, Pavel V. Nikolaev, Ilya Volkovets, Andrey V. Solov'yov. URL: <a href='http://onlinelibrary.wiley.com/doi/10.1002/jcc.23086/abstract'>http://onlinelibrary.wiley.com/doi/10.1002/jcc.23086/abstract</a>

Vibrationally assisted electron transfer mechanism of olfaction: myth or reality? Image credit: Ilia A. Solov'yov, Po-Yao Chang, and Klaus Schulten. URL: <a href='http://www.ncbi.nlm.nih.gov/pubmed/22899100'>http://www.ncbi.nlm.nih.gov/pubmed/22899100</a>

How birds and other animals orient in the Earth magnetic field. Image credit: Ilia A. Solov'yov, Klaus Schulten, and Walter Greiner. Physik Journal, 9:23-28, 2010

Magnetoreception through cryptochrome may involve superoxide. Image credit: Ilia A. Solov'yov and Klaus Schulten. Biophysical Journal, 96:4804-4813, 2009.

Publications

Year

Title

Author(s)

Abstract contains

Journal(s)

A Computer Laboratory for the Calculation of the Heat Capacity of a Peptide Unfolding Transition, Lau Blom Grøndahl, Fabian Schuhmann, Dennis Bruhn, Vikas Dubey, Ilia A. Solov'yov, Himanshu Khandelia, The Biophysicist, 5, 67-80, (2024)

Different receptor models show differences in ligand binding strength and location: a computational drug screening for the tick-borne encephalitis virus, Felicitas Finke, Jonathan Hungerland, Ilia A. Solov'yov, Fabian Schuhmann, Molecular Diversity, 29, 281-292, (2024)

External RF-EMF alters cell number and ROS balance possibly via the regulation of NADPH metabolism and apoptosis, Sheung-Ching Chow, Yang Zhang, Raymond W. M. Ng, Shu-Yuen Ron Hui, Ilia A. Solov'yov, Wing-Yee Lui, Frontiers in Public Health, 12, 1425023-(1-11), (2024)

Cryptochrome magnetoreception: Time course of photoactivation from non-equilibrium coarse-grained molecular dynamics, Jessica L. Ramsay, Fabian Schuhmann, Ilia A. Solov'yov, Daniel R. Kattnig, Computational and Structural Biotechnology Journal, 26, 58-69, (2024)

Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment, Andrey V. Solov'yov, Alexey V. Verkhovtsev, Nigel J. Mason, Richard A. Amos, Ilko Bald, Gérard Baldacchino, Brendan Dromey,Martin Falk, Juraj Fedor, Luca Gerhards, Michael Hausmann, Georg Hildenbrand, Miloš Hrabovsk\'y, Stanislav Kadlec, Jaroslav Kočišek, Franck Lépine, Siyi Ming, Andrew Nisbet, Kate Ricketts, Leo Sala, Thomas Schlathölter, Andrew E. H. Wheatley, Ilia A. Solov'yov, Chemical Reviews, 124, 8014-8129, (2024)

Importance of Polarizable Embedding for Absorption Spectrum Calculations of Arabidopsis thaliana Cryptochrome 1, Anders Frederiksen, Luca Gerhards, Peter Reinholdt, Jacob Kongsted, Ilia A. Solov'yov, Journal of Physical Chemistry B, 128, 6283-6290, (2024)

Understanding the Red Shift in the Absorption Spectrum of the FAD Cofactor in ClCry4 Protein, Katarina Kretschmer, Anders Frederiksen, Peter Reinholdt, Jacob Kongsted, Ilia A. Solov'yov, Journal of Physical Chemistry B, 128, 5320-5326, (2024)

Magnetic orientation in juvenile Atlantic herring (Clupea harengus) could involve cryptochrome 4 as a potential magnetoreceptor, Malien Laurien, Lara Mende, Lena Luhrmann, Anders Frederiksen, Mandus Aldag, Lisa Spiecker, Catriona Clemmesen, Ilia A. Solov'yov, Gabriele Gerlach, Journal of the Royal Society Interface, 21, 20240035, (2024)

Structural Rearrangements of Pigeon Cryptochrome 4 Undergoing a Complete Redox Cycle, Fabian Schuhmann, Jessica L. Ramsay, Daniel R. Kattnig, Ilia A. Solov'yov, Journal of Physical Chemistry B, 128, 3844-3855, (2024)

How do Antimicrobial Peptides Interact with the Outer Membrane of Gram-Negative Bacteria? Role of Lipopolysaccharidesin Peptide Binding, Anchoring, and Penetration, Justus C. Stephani, Luca Gerhards, Bishoy Khairalla, Ilia A. Solov'yov, Izabella Brand, ACS Infectious Diseases, 10, 763-778, (2024)