Publications

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)
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)
Multiscale modeling with MBN Explorer and MBN Studio, Alexey V. Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, in: Tools for investigating electronic excitation: experiment and multi-scale modelling, edited by: T. Apostolova and J. Kohanoff and N. Medvedev and E. Oliva and A. Rivera, 295-323, Instituto de Fusión Nuclear "Guillermo Velarde" Universidad Politécnica de Madrid, (2021)
Irradiation driven molecular dynamics with reactive CHARMM force field, Alexey V. Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, in: Tools for investigating electronic excitation: experiment and multi-scale modelling, edited by: T. Apostolova and J. Kohanoff and N. Medvedev and E. Oliva and A. Rivera, 325-3244, Instituto de Fusión Nuclear "Guillermo Velarde" Universidad Politécnica de Madrid, (2021)
2020
0, (2020)
Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18-Hexaazatrinaphthylene-Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry, A. Markovic, L. Gerhards, P. Sander, C. Dosche, Thorsten Klüner, R. Beckhaus, G. Wittstock, ChemPhysChem, 21, 2506-2514, (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)
Quantum mechanical simulations of a carbon ion colliding with a biological target, Andreas Alberg-Fløjborg, Adrian Bøgh Salo, Ilia A. Solov'yov, Journal of Physics B: Atomic, Molecular and Optical Physics, 53, 145202, (2020)