Evidence map›Paper›PMID 30582480›Full record

ReviewCurrent topics in medicinal chemistry2018

Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes.

Dinler A Antunes, Jayvee R Abella, Didier Devaurs, Maurício M Rigo, Lydia E Kavraki

Abstract readReview
In one paragraph

Review in Current topics in medicinal chemistry, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 42 papers.

0numbers the graph read from it
0cells of the map it votes in
42citing 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

42 citing papers in PubMed.

  1. Article
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  4. Review
  5. Article
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  10. Review
  11. RankMHC: Learning to Rank Class-I Peptide-MHC Structural Models.Journal of chemical information and modeling · 2024
    Article
  12. Strengths and limitations of web servers for the modeling of TCRpMHC complexes.Computational and structural biotechnology journal · 2024
    Article
  13. Review
  14. Review
  15. Article
  16. Accurate modeling of peptide-MHC structures with AlphaFold.Structure (London, England : 1993) · 2024
    Article
  17. Article
  18. Article
  19. Review
  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

5 authors.

Dinler A AntunesComputer Science Department, Rice University, Houston, TX, United States.
Jayvee R AbellaComputer Science Department, Rice University, Houston, TX, United States.
Didier DevaursComputer Science Department, Rice University, Houston, TX, United States.
Maurício M RigoSchool of Medicine, Pontifical Catholic University of Rio Grande do Sul, Porto Alegre, Rio Grande do Sul, Brazil.
Lydia E KavrakiComputer Science Department, Rice University, Houston, TX, United States.

Funding

TRAINING PROGRAM IN COMPUTATIONAL BIOLOGY AND MEDICINET15LM007093 · NLM · RICE UNIVERSITY · PI Lydia E. Kavraki · 1992 to 2026
$20.8M
Resource for Biocomputing Visualization and InformaticsP41GM103311 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI FERRIN, THOMAS E · 2012 to 2017
$8.2M
ChimeraX -- Next Generation Visualization and Analysis Software for Multiscale ModelingR01GM129325 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI FERRIN, THOMAS E · 2018 to 2025
$5.2M
Structure-based selection of tumor-antigens for T-cell based immunotherapyR21CA209941 · NCI · RICE UNIVERSITY · PI KAVRAKI, LYDIA E., LIZEE, GREGORY A · 2016 to 2017
$384k
NCI NIH HHS R21 CA209941NIGMS NIH HHS P41 GM103311NIGMS NIH HHS R01 GM129325NLM NIH HHS T15 LM007093
6 · The paper itself

Abstract

Understanding the mechanisms involved in the activation of an immune response is essential to many fields in human health, including vaccine development and personalized cancer immunotherapy. A central step in the activation of the adaptive immune response is the recognition, by T-cell lymphocytes, of peptides displayed by a special type of receptor known as Major Histocompatibility Complex (MHC). Considering the key role of MHC receptors in T-cell activation, the computational prediction of peptide binding to MHC has been an important goal for many immunological applications. Sequence- based methods have become the gold standard for peptide-MHC binding affinity prediction, but structure-based methods are expected to provide more general predictions (i.e., predictions applicable to all types of MHC receptors). In addition, structural modeling of peptide-MHC complexes has the potential to uncover yet unknown drivers of T-cell activation, thus allowing for the development of better and safer therapies. In this review, we discuss the use of computational methods for the structural modeling of peptide-MHC complexes (i.e., binding mode prediction) and for the structure-based prediction of binding affinity.

Indexed as

Binding SitesHLA AntigensHumansPeptidesStructure-Activity RelationshipHLA AntigensPeptidesBinding affinity predictionBinding mode predictionImmunogenicityMolecular dockingPeptide- MHC complexesT-cell activation.

Identifiers

PMID30582480
PMCPMC6361695

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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.