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Filamin C dimerisation is regulated by HSPB7 (2025)
Journal Article
Wang, Z., Cao, G., Collier, M. P., Qiu, X., Broadway-Stringer, S., Šaman, D., Ng, J. Z. Y., Sen, N., Azad, A. J., Hooper, C., Zimmermann, J., McDonough, M. A., Brem, J., Rabe, P., Song, H., Alderson, T. R., Schofield, C. J., Bolla, J. R., Djinovic-Carugo, K., Fürst, D. O., …Benesch, J. L. P. (2025). Filamin C dimerisation is regulated by HSPB7. Nature Communications, 16, Article 4090. https://doi.org/10.1038/s41467-025-58889-x

The biomechanical properties and responses of tissues underpin a variety important of physiological functions and pathologies. In striated muscle, the actin-binding protein filamin C (FLNC) is a key protein whose variants causative for a wide range o... Read More about Filamin C dimerisation is regulated by HSPB7.

Modeling Realistic Clay Systems with ClayCode (2024)
Journal Article
Pollak, H., Degiacomi, M. T., & Erastova, V. (2024). Modeling Realistic Clay Systems with ClayCode. Journal of Chemical Theory and Computation, 20(21), 9606–9617. https://doi.org/10.1021/acs.jctc.4c00987

Clays are a broad class of ubiquitous layered materials. Their specific chemophysical properties are intimately connected to their molecular structure, featuring repeating patterns broken by substitutions. Molecular dynamics simulations can provide i... Read More about Modeling Realistic Clay Systems with ClayCode.

Oligomerization-driven avidity correlates with SARS-CoV-2 cellular binding and inhibition. (2024)
Journal Article
Asor, R., Olerinyova, A., Burnap, S. A., Kushwah, M. S., Soltermann, F., Rudden, L. S. P., Hensen, M., Vasiljevic, S., Brun, J., Hill, M., Chang, L., Dejnirattisai, W., Supasa, P., Mongkolsapaya, J., Zhou, D., Stuart, D. I., Screaton, G. R., Degiacomi, M. T., Zitzmann, N., Benesch, J. L. P., …Kukura, P. (2024). Oligomerization-driven avidity correlates with SARS-CoV-2 cellular binding and inhibition. Proceedings of the National Academy of Sciences, 121(40), Article e2403260121. https://doi.org/10.1073/pnas.2403260121

Cellular processes are controlled by the thermodynamics of the underlying biomolecular interactions. Frequently, structural investigations use one monomeric binding partner, while ensemble measurements of binding affinities generally yield one affini... Read More about Oligomerization-driven avidity correlates with SARS-CoV-2 cellular binding and inhibition..

Ca2+-dependent lipid preferences shape synaptotagmin-1 C2A and C2B dynamics: Insights from experiments and simulations (2024)
Journal Article
Bender, J., Kundlacz, T., Rudden, L. S. P., Frick, M., Bieber, J., Degiacomi, M. T., & Schmidt, C. (2024). Ca2+-dependent lipid preferences shape synaptotagmin-1 C2A and C2B dynamics: Insights from experiments and simulations. Structure, 32(10), 1691-1704. https://doi.org/10.1016/j.str.2024.07.017

Signal transmission between neurons requires exocytosis of neurotransmitters from the lumen of synaptic vesicles into the synaptic cleft. Following an influx of Ca , this process is facilitated by the Ca sensor synaptotagmin-1. The underlying mechan... Read More about Ca2+-dependent lipid preferences shape synaptotagmin-1 C2A and C2B dynamics: Insights from experiments and simulations.

Denoising Diffusion Probabilistic Models on SO(3) for Rotational Alignment (2022)
Presentation / Conference Contribution
Leach, A., Schmon, S. M., Degiacomi, M. T., & Willcocks, C. G. (2022, April). Denoising Diffusion Probabilistic Models on SO(3) for Rotational Alignment. Presented at ICLR 2022 Workshop on Geometrical and Topological Representation Learning

Probabilistic diffusion models are capable of modeling complex data distributions on high-dimensional Euclidean spaces for a range applications. However, many real world tasks involve more complex structures such as data distributions defined on mani... Read More about Denoising Diffusion Probabilistic Models on SO(3) for Rotational Alignment.

Identification of Graphene Dispersion Agents through Molecular Fingerprints (2022)
Journal Article
Goldie, S. J., Degiacomi, M. T., Jiang, S., Clark, S. J., Erastova, V., & Coleman, K. S. (2022). Identification of Graphene Dispersion Agents through Molecular Fingerprints. ACS Nano, 16(10), https://doi.org/10.1021/acsnano.2c04406

The scalable production and dispersion of 2D materials, like graphene, is critical to enable their use in commercial applications. While liquid exfoliation is commonly used, solvents such as N-methyl-pyrrolidone (NMP) are toxic and difficult to scale... Read More about Identification of Graphene Dispersion Agents through Molecular Fingerprints.

Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome (2022)
Journal Article
Guillen-Garcia, A., Gibson, S., Jordan, C., Ramaswamy, V., Linthwaite, V., Bromley, E., Brown, A., Hodgson, D., Blower, T., Verlet, J., Degiacomi, M., Palsson, L.-O., & Cann, M. (2022). Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome. Nature Communications, 13, Article 5289. https://doi.org/10.1038/s41467-022-32925-6

Light harvesting is fundamental for production of ATP and reducing equivalents for CO2 fixation during photosynthesis. However, electronic energy transfer (EET) through a photosystem can harm the photosynthetic apparatus when not balanced with CO2. H... Read More about Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome.

Complementing machine learning‐based structure predictions with native mass spectrometry (2022)
Journal Article
Allison, T. M., Degiacomi, M. T., Marklund, E. G., Jovine, L., Elofsson, A., Benesch, J. L., & Landreh, M. (2022). Complementing machine learning‐based structure predictions with native mass spectrometry. Protein Science, 31(6), Article e4333. https://doi.org/10.1002/pro.4333

The advent of machine learning-based structure prediction algorithms such as AlphaFold2 (AF2) and RoseTTa Fold have moved the generation of accurate structural models for the entire cellular protein machinery into the reach of the scientific communit... Read More about Complementing machine learning‐based structure predictions with native mass spectrometry.

Electrospray ionization of native membrane proteins proceeds via a charge equilibration step (2022)
Journal Article
Yen, H.-Y., Abramsson, M. L., Agasid, M. T., Lama, D., Gault, J., Liko, I., Kaldmäe, M., Saluri, M., Qureshi, A. A., Suades, A., Drew, D., Degiacomi, M. T., Marklund, E. G., Allison, T. M., Robinson, C. V., & Landreh, M. (2022). Electrospray ionization of native membrane proteins proceeds via a charge equilibration step. RSC Advances, 12(16), 9671-9680. https://doi.org/10.1039/d2ra01282k

Electrospray ionization mass spectrometry is increasingly applied to study the structures and interactions of membrane protein complexes. However, the charging mechanism is complicated by the presence of detergent micelles during ionization. Here, we... Read More about Electrospray ionization of native membrane proteins proceeds via a charge equilibration step.