Evidence map›Paper›PMID 20174654›Full record

ArticlePloS one2010

Limitations of Ab initio predictions of peptide binding to MHC class II molecules.

Hao Zhang, Peng Wang, Nikitas Papangelopoulos, Ying Xu, Alessandro Sette, Philip E Bourne, Ole Lund, Julia Ponomarenko, Morten Nielsen, Bjoern Peters

Abstract read
In one paragraph

Article in PloS one, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
26citing papers in PubMed, 1 pooled it
–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

26 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Current medicinal chemistry · 2024
    Review
  3. Review
  4. Article
  5. Article
  6. The pockets guide to HLA class I molecules.Biochemical Society transactions · 2021
    Review
  7. Article
  8. MHCII3D-Robust Structure Based Prediction of MHC II Binding Peptides.International journal of molecular sciences · 2020
    Article
  9. Article
  10. Immunoinformatics: Predicting Peptide-MHC Binding.Annual review of biomedical data science · 2020
    Article
  11. T Cell Epitope Predictions.Annual review of immunology · 2020
    Review
  12. Article
  13. Article
  14. Review
  15. Article
  16. Review
  17. Article
  18. Article
  19. Article
  20. 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.

Hao ZhangCenter for Biological Sequence Analysis, Department for Systems Biology, Technical University of Denmark, Lyngby, Denmark.
Peng Wang
Nikitas Papangelopoulos
Ying Xu
Alessandro Sette
Philip E Bourne
Ole Lund
Julia Ponomarenko
Morten Nielsen
Bjoern Peters

Funding

PHS HHS HHSN266200400025CPHS HHS HHSN26620040006CPHS HHS HHSN266200400083C
6 · The paper itself

Abstract

Successful predictions of peptide MHC binding typically require a large set of binding data for the specific MHC molecule that is examined. Structure based prediction methods promise to circumvent this requirement by evaluating the physical contacts a peptide can make with an MHC molecule based on the highly conserved 3D structure of peptide:MHC complexes. While several such methods have been described before, most are not publicly available and have not been independently tested for their performance. We here implemented and evaluated three prediction methods for MHC class II molecules: statistical potentials derived from the analysis of known protein structures; energetic evaluation of different peptide snapshots in a molecular dynamics simulation; and direct analysis of contacts made in known 3D structures of peptide:MHC complexes. These methods are ab initio in that they require structural data of the MHC molecule examined, but no specific peptide:MHC binding data. Moreover, these methods retain the ability to make predictions in a sufficiently short time scale to be useful in a real world application, such as screening a whole proteome for candidate binding peptides. A rigorous evaluation of each methods prediction performance showed that these are significantly better than random, but still substantially lower than the best performing sequence based class II prediction methods available. While the approaches presented here were developed independently, we have chosen to present our results together in order to support the notion that generating structure based predictions of peptide:MHC binding without using binding data is unlikely to give satisfactory results.

Indexed as

AlgorithmsAmino Acid SequenceComputer SimulationDatabases, ProteinEpitopesHistocompatibility Antigens Class IIHLA-A AntigensHLA-DRB1 ChainsHumansHydrogen BondingHydrophobic and Hydrophilic InteractionsMolecular Dynamics SimulationMolecular Sequence DataPeptidesProtein BindingStatic ElectricityEpitopesHistocompatibility Antigens Class IIHLA-A AntigensHLA-DRB1*01:01 antigenHLA-DRB1 ChainsPeptides

Identifiers

PMID20174654
PMCPMC2822856

What OpenQuestion holds

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LicenceCC BY
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Registered trials

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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.