Articles

Peculiar Differences between Two Copper Complexes Containing Similar Redox-Active Ligands: Density Functional and Multiconfigurational Calculations, Luca Gerhards, Marco Werr, Olaf Hübner, Ilia A. Solov'yov, Hans-Jörg Himmel, Inorganic Chemistry, 63, 961-975, (2024)
Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator, Pedro H. Alvarez, Farhan T. Chowdhury, Luke D. Smith, Trevor J. Brokowski, Clarice D. Aiello, Daniel R. Kattnig, Marcos C. de Oliveira, 1, 036114, (2024)
2023
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Magnetic field effects on radical pair reactions: estimation of B1/2 for flavin-tryptophan radical pairs in cryptochromes, Siu Ying Wong, Philip Benjamin, P. J. Hore, Physical Chemistry - Chemical Physics, 25, 975-982, (2023)
A marine cryptochrome with an inverse photo-oligomerization mechanism, Hong Ha Vu, Heide Behrmann, Maja Hanić, Gayathri Jeyasankar, Shruthi Krishnan, Dennis Dannecker, Constantin Hammer, Monika Gunkel, Ilia A. Solov'yov, Eva Wolf, Elmar Behrmann, Nature Communication, 14, 6918, (2023)
Long-Time Oxygen and Superoxide Localization in Arabidopsis thaliana Cryptochrome, K. Michael Salerno, Janna Domenico, Nam Q. Le, Krithika Balakrishnan, Ryan J. McQuillen, Christopher D. Stiles, Ilia A. Solov'yov, Carlos F. Martino, Journal of Chemical Information and Modeling, 63, 6756-6767, (2023)
Conformationally Restricted Glycopeptide Backbone Inhibits Gas-Phase H/D Scrambling between Glycan and Peptide Moieties, Christian Code, Danwen Qiu, Ilia A. Solov'yov, Jung-Goo Lee, Hyeon-Cheol Shin, Christopher Roland, Celeste Sagui, Damian Houde, Kasper D. Rand, Thomas J. D. Jørgensen, Journal of the American Chemical Society, 145, 23925-23938, (2023)
Introducing the Automated Ligand Searcher, Luise Jacobsen, Jonathan Hungerland, Vladimir Bačić, Luca Gerhards, Fabian Schuhmann, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 63, 7518-7528, (2023)
Tracking the Electron Transfer Cascade in European Robin Cryptochrome 4 Mutants, Daniel Timmer, Anders Frederiksen, Daniel C. Lünemann, Anitta R. Thomas, Jingjing Xu, Rabea Bartölke, Jessica Schmidt, Tomáš Kubař, Antonietta De Sio, Ilia A. Solov'yov, Henrik Mouritsen, Christoph Lienau, Journal of the American Chemical Society, 145, 11566-11578, (2023)
Dimerization of European Robin Cryptochrome 4a, Maja Hanić, Lewis M. Antill, Angela S. Gehrckens, Jessica Schmidt, Katharina Görtemaker, Rabea Bartölke, Tarick J. El-Baba, Jingjing Xu, Karl-Wilhelm Koch, Henrik Mouritsen, Justin L. P. Benesch, P. J. Hore, Ilia A. Solov'yov, Journal of Physical Chemistry B, 127, 6251-6264, (2023)