ArticlePloS one2010
A comparative approach linking molecular dynamics of altered peptide ligands and MHC with in vivo immune responses.
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 14 papers.
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Who cites it
14 citing papers in PubMed, 32 citations in OpenAlex.
- Effects of Two Distinct Psychoactive Microbes,International journal of molecular sciences · 2022Article
- How peptide/MHC presence affects the dynamics of the LC13 T-cell receptor.Scientific reports · 2019Article
- Imprinting and Editing of the Human CD4 T Cell Response to Influenza Virus.Frontiers in immunology · 2019Article
- Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation.Frontiers in immunology · 2017Review
- Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.PLoS computational biology · 2014Article
- TCR triggering by pMHC ligands tethered on surfaces via poly(ethylene glycol) depends on polymer length.PloS one · 2014Article
- Differential geometric analysis of alterations in MH α-helices.Journal of computational chemistry · 2013Article
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- Association of HLA-DR1 with the allergic response to the major mugwort pollen allergen: molecular background.BMC immunology · 2012Article
- MHComputer physics communications · 2012Article
- Relaxation estimation of RMSD in molecular dynamics immunosimulations.Computational and mathematical methods in medicine · 2012Article
- Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?Journal of computational biology : a journal of computational molecular cell biology · 2011Article
- PeptX: using genetic algorithms to optimize peptides for MHC binding.BMC bioinformatics · 2011Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
backgroundThe recognition of peptide in the context of MHC by T lymphocytes is a critical step in the initiation of an adaptive immune response. However, the molecular nature of the interaction between peptide and MHC and how it influences T cell responsiveness is not fully understood.
resultsWe analyzed the immunological consequences of the interaction of MHC class II (I-Au) restricted 11-mer peptides of myelin basic protein with amino acid substitutions at position 4. These mutant peptides differ in MHC binding affinity, CD4+ T cell priming, and alter the severity of peptide-induced experimental allergic encephalomyelitis. Using molecular dynamics, a computational method of quantifying intrinsic movements of proteins at high resolution, we investigated conformational changes in MHC upon peptide binding. We found that irrespective of peptide binding affinity, MHC deformation appears to influence costimulation, which then leads to effective T cell priming and disease induction. Although this study compares in vivo and molecular dynamics results for three altered peptide ligands, further investigation with similar complexes is essential to determine whether spatial rearrangement of peptide-MHC and costimulatory complexes is an additional level of T cell regulation.
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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.