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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>.

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>

Publications

Year

Title

Author(s)

Abstract contains

Journal(s)

2021

0, (2021)

Inhibition Mechanism of Antimalarial Drugs Targeting the Cytochrome bc1 Complex, Luise Jacobsen, Peter Husen, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 61, 1334â1345, (2021)

Frontiers in Multiscale Modeling of Photoreceptor Proteins, Maria-Andrea Mroginski, Suliman Adam, Gil S. Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A. Borin,Jonathan R. Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza-González, Ronald González, Cristina E. González-Espinoza, Rajiv K. Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I. Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Párez de Alba Ort\'\iz, Elisa Pieri, Aditya G., Photochemistry and Photobiology, 97, 243-269, (2021)

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)

Introducing Pep McConst — A user-friendly peptide modeler for biophysical applications, Fabian Schuhmann, Vasili Korol, Ilia A. Solov'yov, Journal of Computational Chemistry, 42, 572-580, (2021)

Theoretical Description of the Primary Proton-Coupled Electron Transfer Reaction in the Cytochrome bc1 Complex, Angela M. Barragan, Alexander V. Soudackov, Zaida Luthey-Schulten, Sharon Hammes-Schiffer, Klaus Schulten, Ilia A. Solov'yov, Journal of the American Chemical Society, 143, 715-723, (2021)

2020

0, (2020)

Multiscale simulation of the focused electron beam induced deposition process, Pablo de Vera, Martina Azzolini, Gennady Sushko, Isabel Abril, Rafael Garcia-Molina, Maurizio Dapor, Ilia A. Solov'yov, Andrey V. Solov'yov, Scientific Reports, 10, 20827, (2020)

Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field, Ida Friis, Alexey Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, Journal of Computational Chemistry, 41, 2429-2439, (2020)

Correction to "Spontaneous Binding of Molecular Oxygen at the Qo-Site of the bc1 Complex Could Stimulate Superoxide Formation", Peter Husen, Ilia A. Solov'yov, Journal of the American Chemical Society, 142, 11314-11314, (2020)