Evidence map›Paper›PMID 37979542›Full record

ArticleUltramicroscopy2024

Computational models of amorphous ice for accurate simulation of cryo-EM images of biological samples.

James M Parkhurst, Anna Cavalleri, Maud Dumoux, Mark Basham, Daniel Clare, C Alistair Siebert, Gwyndaf Evans, James H Naismith, Angus Kirkland, Jonathan W Essex

Abstract read
In one paragraph

Article in Ultramicroscopy, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. CryoJAX: a cryo-electron microscopy image-simulation library in JAX.Acta crystallographica. Section D, Structural biology · 2026
    Article
  2. Article
  3. cryoJAX: A Cryo-electron Microscopy Image Simulation Library In JAX.bioRxiv : the preprint server for biology · 2025
    Article
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

James M ParkhurstRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom. Electronic address: james.parkhurst@rfi.ac.uk.
Anna CavalleriSchool of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, United Kingdom.
Maud DumouxRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom.
Mark BashamRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom.
Daniel ClareDiamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom.
C Alistair SiebertDiamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom.
Gwyndaf EvansRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom.
James H NaismithRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom; Division of Structural Biology, University of Oxford, Roosevelt Drive, Oxford, OX3 7BN, United Kingdom.
Angus KirklandRosalind Franklin Institute, Harwell Science and Innovation Campus, Didcot, OX11 0FA, United Kingdom; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, United Kingdom; Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, United Kingdom.
Jonathan W EssexSchool of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, United Kingdom.

Funding

Wellcome Trust
6 · The paper itself

Abstract

Simulations of cryo-electron microscopy (cryo-EM) images of biological samples can be used to produce test datasets to support the development of instrumentation, methods, and software, as well as to assess data acquisition and analysis strategies. To be useful, these simulations need to be based on physically realistic models which include large volumes of amorphous ice. The gold standard model for EM image simulation is a physical atom-based ice model produced using molecular dynamics simulations. Although practical for small sample volumes; for simulation of cryo-EM data from large sample volumes, this can be too computationally expensive. We have evaluated a Gaussian Random Field (GRF) ice model which is shown to be more computationally efficient for large sample volumes. The simulated EM images are compared with the gold standard atom-based ice model approach and shown to be directly comparable. Comparison with experimentally acquired data shows the Gaussian random field ice model produces realistic simulations. The software required has been implemented in the Parakeet software package and the underlying atomic models are available online for use by the wider community.

Indexed as

IceSoftwareCryoelectron MicroscopyMolecular Dynamics SimulationIceAmorphous iceElectron microscopyMolecular dynamicsMultislice simulation

Identifiers

PMID37979542
PMCPMC10730944

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.