Outputs (5)

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.