Publications

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)
Foldning af cryptochrome - hvor svært kan det være?, Claus Nielsen, Hjerneblod, 6, 62-68, (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)
Molecular dynamics studies of DNA photolyase and cryptochromes binding to DNA with a (6-4) photolesion, Katrine Aalbæk Jepsen, Odense, Denmark, 1 — 44, Bachelor Thesis, University of Southern Denmark, (2016)
2015
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MBN Explorer: Dynamics of Biomolecular Systems and Self-organization, Ilia A. Solov'yov, Gennady B. Sushko, Alexey V. Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov, St. Petersburg State Polytechnic University, St. Petersburg, Russia, Polytechnic University Publishing House, (2015)
MBN Explorer: Simulations of Nanomaterials Structure and Dynamics, Ilia A. Solov'yov, Gennady B. Sushko, Alexey V. Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov, St. Petersburg State Polytechnic University, St. Petersburg, Russia, Polytechnic University Publishing House, (2015)
Quantifying electron transfer reactions in biological systems: what interactions play the major role?, Emil Sjulstok, Jogvan Magnus Haugaard Olsen, Ilia A. Solov'yov, Scientific Reports, 5, 18446, (2015)
Solvent driving force ensures fast formation of a persistent and well-separated radical pair in plant cryptochrome, Gesa Lüdemann, Ilia A. Solov'yov, Tomáš Kubař, Marcus Elstner, Journal of the American Chemical Society, 137, 1147-1156, (2015)