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Data underlying the publication: Roodmus: a toolkit for benchmarking heterogeneous electron cryo-microscopy reconstructions - Roodmus_DESRES-Trajectory_sarscov2-11021566-11021571-mixed

  • M.J. Joosten (Creator)
  • Joel Greer (Creator)
  • James Parkhurst (Creator)
  • A. Jakobi (Creator)
  • Tom Burnley (Creator)

Dataset

Description

Introduction
data underlying the publication Roodmus: a toolkit for benchmarking heterogeneous electron cryo-microscopy reconstructions.
Publication DOI: https://doi.org/10.1107/S2052252524009321
Authors: M. Joosten, J. Greer, J. Parkhurst, T. Burnley, A.J. Jakobi

Description
SARS-CoV-2 spike glycoprotein synthetic cryo-EM micrographs and atomic structure models. 120000 particles in 400 .mrc micrographs and 16668 .pdb models. The first 8334 atomic models are sampled from the closed state simulation DESRES-Trajectory_sarscov2-11021566. The last 8334 atomic models are sampled from the open state simulation DESRES-Trajectory_sarscov2-11021571. Atomic models derived from molecular dynamics simulation adapted from "Molecular Dynamics Simulations Related to SARS-CoV-2," D. E. Shaw Research Technical Data, 2020.

Bibliographical note

https://www.deshawresearch.com/downloads/download_trajectory_sarscov2.cgi/
https://doi.org/10.5281/zenodo.10258256
https://zenodo.org/doi/10.5281/zenodo.4779588
Date made available14 Oct 2024
PublisherTU Delft - 4TU.ResearchData
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