Publications

Mechanism of the Primary Charge Transfer Reaction in the Cytochrome bc1 Complex, Angela M. Barragan, Klaus Schulten, Ilia A. Solov'yov, Journal of Physical Chemistry B, 120, 11369-11380, (2016)
Synthetic oligonucleotide antigens modified with locked nucleic acids detect disease specific antibodies, Simone V. Samuelsen, Ilia A. Solov'yov, Imelda M. Balboni, Elizabeth Mellins, Christoffer Tandrup Nielsen, Niels H. H. Heegaard, Kira Astakhova, Scientific Reports, 6, 35827, (2016)
Molecular dynamics for irradiation driven chemistry: application to the FEBID process, Gennady B. Sushko, Ilia A. Solov'yov, Andrey V. Solov'yov, European Physical Journal D, 70, 217-232, (2016)
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, 138, 12150-12158, (2016)
Electron spin relaxation can enhance the performance of a cryptochrome-based magnetic compass sensor, Daniel R. Kattnig, Jakub K. Sowa, Ilia A. Solov'yov, P. J. Hore, New Journal of Physics, 18, 063007, (2016)
How Far Does a Receptor Influence Vibrational Properties of an Odorant?, Anna Reese, Nanna Holmgaard List, Jacob Kongsted, Ilia A. Solov'yov, PLoS ONE, 11, 10.1371/journal.pone.0152345, (2016)
Electron spin relaxation in cryptochrome-based magnetoreception, Daniel R. Kattnig, Ilia A. Solov'yov, P. J. Hore, Physical Chemistry Chemical Physics, 70, 12443-12456, (2016)
Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology, Gennady B. Sushko, Ilia A. Solov'yov, Alexey V. Verkhovtsev, Sergey N. Volkov, Andrey V. Solov'yov, European Physical Journal D, 70, 1-12, (2016)
Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c2, Abhishek Singharoy, Angela M. Barragan, Sundarapandian Thangapandian, Emad Tajkhorshid, Klaus Schulten, Journal of the American Chemical Society, 138, 12077-12089, (2016)
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing, John E. Stone, Melih Sener, Kirby L. Vandivort, Angela Barragan, Abhishek Singharoy, Ivan Teo, João V. Ribeiro, Barry Isralewitz, Bo Liu, Boon Chong Goh, James C. Phillips, Craig MacGregor-Chatwin, Matthew P. Johnson, Lena F. Kourkoutis, C. Neil Hunter, Klaus Schulten, Parallel Computing, 55, 17 - 27, (2016)