Articles

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)
2015
0, 0, (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)
Identification of Ubiquinol Binding Motifs at the Qo-Site of the Cytochrome bc1 Complex, Angela M. Barragan, Antony R. Crofts, Klaus Schulten, Ilia A. Solov'yov, Journal of Physical Chemistry B, 119, 433-447, (2015)
Real sequence effects on the search dynamics of transcription factors on DNA, Maximilian Bauer, Emil S. Rasmussen, Michael A. Lomholt, Ralf Metzler, Scientific Reports, 5, 10072, (2015)
A comparative study of binding affinities for 6, 7-dimethoxy-4-pyrrolidylquinazolines as phosphodiesterase 10A inhibitors using the linear interaction energy method, Kjellgren, Erik Rosendahl, Glue, Oliver Emil Skytte, Reinholdt, Peter, Meyer, Julie Egeskov, Kongsted, Jacob, Poongavanam, Vasanthanathan, Journal of Molecular Graphics and Modelling, 61, 44--52, Elsevier, (2015)