Publications

2024

Integrative Molecular Dynamics Simulations Untangle Cross-Linking Data to Unveil Mitochondrial Protein Distribution

Fabian Schuhmann, Kerem Can akkaya, Dmytro Puchkov, Martin Lehmann, Fan Liu, and Weria Pezeshkian, Angewandte Chemie, e202417804 (2024)

The first interneuron of the mouse visual system is tailored to the natural environment through morphology and electrical coupling

Matteo Spinelli, Alejandra Acevedo Harnecker, Christoph T. Block, Lucia Lindenthal, Fabian Schuhmann, Martin Greschner, Ulrike Janssen-Bienhold, Karin Dedek, Christian Puller, iScience, 27, 111276 (2024)

Cryptochrome magnetoreception: time course of photoactivation from non-equilibrium coarse-grained molecular dynamics

Jessica L. Ramsay, Fabian Schuhmann, Ilia A. Solov'yov, Daniel R. Kattnig, Computational and Structural Biotechnology Journal, 26, 58-69 (2024)

Physics-Based Protein Networks Might Recover Effectful Mutations─a Case Study on Cathepsin G

Fabian Schuhmann, Heloisa N. Bordallo, and Weria Pezeshkian, Journal of Physical Chemistry B, 128, 10043-10050 (2024)

Allosteric Communication of the Dimerization and the Catalytic Domain in Photoreceptor Guanylate Cyclase

Manisha Kumari Shahu, Fabian Schuhmann, Siu Ying Wong, Ilia A. Solov’yov, and Karl-Wilhelm Koch, BioChemistry, 63, 2131-2140 (2024)

Spurious negative eigenvalues of numerical variance-covariance matrices in many-body systems correlate with the existence of frozen degrees of freedom

Jonathan Hungerland, Ilia A. Solov'yov, Fabian Schuhmann, Physica Scripta, 99, 085249, (2024)

A Computer Laboratory for the Calculation of the Heat Capacity of a Peptide Unfolding Transition

Lau Blom Grøndahl, Fabian Schuhmann, Dennis Bruhn, Vikas Dubey, Ilia A. Solov’yov, Himanshu Khandelia, TheBiophysicist 2024; doi: https://doi.org/10.35459/tbp.2024.000251

Different receptor models show differences in ligand binding strength and location: a computational drug screening for the tick-borne encephalitis virus

Felicitas Finke, Jonathan Hungerland, Ilia A. Solov'yov, Fabian Schuhmann, Molecular Diversity, (2024) DOI: 10.1007/s11030-024-10850-8

Structural Rearrangements of Pigeon Cryptochrome 4 Undergoing a Complete Redox Cycle

Fabian Schuhmann, Jessica L. Ramsay, Daniel R. Kattnig, Ilia A. Solov'yov, Journal of Physical Chemistry B, 128, 3844-3855, (2024)

2023

Introducing the Automated Ligand Searcher

Luise Jacobsen, Jonathan Hungerland, Vladimir Bačić, Luca Gerads, Fabian Schuhmann, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 63, 7518-7528, (2023)

Across atoms to crossing continents: Application of similarity measures to biological location data

Fabian Schuhmann, Leonie Ryvkin, James D. McLaren, Luca Gerhards, Ilia A. Solov'yov, PLOS ONE, 18, e0284736, (2023)

2022

Effects of Dynamical Degrees of Freedom on Magnetic Compass Sensitivity: A Comparison of Plant and Avian Cryptochromes

Gesa Grüning, Siu Ying Wong, Luca Gerhards, Fabian Schuhmann, Daniel R. Kattnig, P.J. Hore, Ilia A. Solov'yov, Journal of the American Chemical Society, 144, 22902-22914, (2022)

On the energetic differences of avian cryptochromes 4 from selected species

Maja Hanić, Anders Frederiksen, Fabian Schuhmann, Ilia A. Solov'yov, The European Physical Journal D, 76, 198, (2022)

The same, but different, but still the same: structural and dynamical differences of neutrophil elastase and cathepsin G

Fabian Schuhmann, Xiangyin Tan, Luca Gerhards, Heloisa N. Bordallo, Ilia A. Solov'yov, The European Physical Journal D, 76, 126, (2022)

Computational Reconstruction and Analysis of Structural Models of Avian Cryptochrome 4

Maja Hanic, Fabian Schuhmann, Anders Frederiksen, Corinna Langebrake, Georg Manthey, Miriam Liedvogel, Jingjing Xu, Henrik Mouritsen, Ilia A. Solov'yov, Journal of Physical Chemistry B, 126,4623-4635, (2022)

The Transition of Photoreceptor Guanylate Cyclase Type 1 to the Active State

Manisha Kumari Shahu, Fabian Schuhmann, Alexander Scholten, Ilia A. Solov'yov, Karl-Wilhelm Koch, International Journal of Molecular Sciences, 23, 4030, (2022)

Fabian Schuhmann