Geometric shape matching for recovering protein conformations from single-particle Cryo-EM data
<|reference_start|>Geometric shape matching for recovering protein conformations from single-particle Cryo-EM data: We address recovery of the three-dimensional backbone structure of single polypeptide proteins from single-particle cryo-electron microscopy (Cryo-SPA) data. Cryo-SPA produces noisy tomographic projections of electrostatic potentials of macromolecules. From these projections, we use methods from shape analysis to recover the three-dimensional backbone structure. Thus, we view the reconstruction problem as an indirect matching problem, where a point cloud representation of the protein backbone is deformed to match 2D tomography data. The deformations are obtained via the action of a matrix Lie group. By selecting a deformation energy, the optimality conditions are obtained, which lead to computational algorithms for optimal deformations. We showcase our approach on synthetic data, for which we recover the three-dimensional structure of the backbone.<|reference_end|>
@article{jansson2024geometric,
    title={Geometric shape matching for recovering protein conformations from
  single-particle Cryo-EM data},
    author={Erik Jansson, Jonathan Krook, Klas Modin, Ozan "Oktem},
    journal={arXiv preprint arXiv:2410.00833},
    year={2024},
    archivePrefix={arXiv},
    eprint={2410.00833},
    primaryClass={q-bio.BM cs.NA math.DG math.NA math.OC}
}