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Neural networks to analyze structural heterogeneity in cryo-electron sub-tomograms

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TomoDRGN: analyzing structural heterogeneity in cryo-electron sub-tomograms

Unique per-particle ribosome volumes, calculated from a tomoDRGN variational autoencoder trained on EMPIAR-10499 _Mycoplasma pneumonaie_ ribosomes, mapped back to the tomographic cellular environment

CryoDRGN has proven a powerful deep learning method for heterogeneity analysis in single particle cryo-EM. In particular, the method models a continuous distribution over 3D structures by using a Variational Auto-Encoder (VAE) based architecture to generate a reconstruction voxel-by-voxel once given a fixed coordinate from a continuous learned latent space.

TomoDRGN extends the cryoDRGN framework to cryo-ET by learning heterogeneity from datasets in which each particle is sampled by multiple projection images at different stage tilt angles. For cryo-ET samples imaging particles in situ, tomoDRGN therefore enables continuous heterogeneity analysis at a single particle level within the native cellular environment. This new type of input necessitates modification of the cryoDRGN architecture, enables tomography-specific processing opportunities (e.g. dose weighting for loss weighting and efficient voxel subset evaluation during training), and benefits from tomography-specific interactive visualizations.

Documentation

TomoDRGN documentation, including installation instructions, tutorials, CLI and API references, and more, are now hosted on GitHub Pages.

Relevant literature

  1. Powell, B.M., Davis, J.H. Learning structural heterogeneity from cryo-electron sub-tomograms with tomoDRGN. bioRxiv
  2. Zhong, E.D., Bepler, T., Berger, B. & Davis, J.H. CryoDRGN: Reconstruction of Heterogeneous cryo-EM Structures Using Neural Networks. Nature Methods, doi:10.1038/s41592-020-01049-4 (2021)
  3. Kinman, L.F., Powell, B.M., Zhong, E.D. et al. Uncovering structural ensembles from single-particle cryo-EM data using cryoDRGN. Nat Protoc 18, 319–339 (2023). https://doi.org/10.1038/s41596-022-00763-x
  4. Sun, J., Kinman, L., Jahagirdar, D., Ortega, J., Davis. J. KsgA facilitates ribosomal small subunit maturation by proofreading a key structural lesion. bioRxiv, doi:10.1101/2022.07.13.499473 (2022)

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Please file bug reports, feature requests, etc on this GitHub repository's Issues page.

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