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VitTCR:一种用于肽识别预测的深度学习方法。

VitTCR: A deep learning method for peptide recognition prediction.

作者信息

Jiang Mengnan, Yu Zilan, Lan Xun

机构信息

School of Medicine, Tsinghua University, Beijing 100084, China.

Centre for Life Sciences, Tsinghua University, Beijing 100084, China.

出版信息

iScience. 2024 Apr 18;27(5):109770. doi: 10.1016/j.isci.2024.109770. eCollection 2024 May 17.

DOI:10.1016/j.isci.2024.109770
PMID:38711451
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11070698/
Abstract

This study introduces VitTCR, a predictive model based on the vision transformer (ViT) architecture, aimed at identifying interactions between T cell receptors (TCRs) and peptides, crucial for developing cancer immunotherapies and vaccines. VitTCR converts TCR-peptide interactions into numerical AtchleyMaps using Atchley factors for prediction, achieving AUROC (0.6485) and AUPR (0.6295) values. Benchmark analysis indicates VitTCR's performance is comparable to other models, with further comparative studies suggested to understand its effectiveness in varied contexts. Additionally, integrating a positional bias weight matrix (PBWM), derived from amino acid contact probabilities in structurally resolved pMHC-TCR complexes, slightly improves VitTCR's accuracy. The model's predictions show weak yet statistically significant correlations with immunological factors like T cell clonal expansion and activation percentages, underscoring the biological relevance of VitTCR's predictive capabilities. VitTCR emerges as a valuable computational tool for predicting TCR-peptide interactions, offering insights for immunotherapy and vaccine development.

摘要

本研究介绍了VitTCR,这是一种基于视觉Transformer(ViT)架构的预测模型,旨在识别T细胞受体(TCR)与肽之间的相互作用,这对于开发癌症免疫疗法和疫苗至关重要。VitTCR使用阿奇利因子将TCR-肽相互作用转化为数值阿奇利图谱进行预测,实现了AUROC(0.6485)和AUPR(0.6295)值。基准分析表明,VitTCR的性能与其他模型相当,并建议进行进一步的比较研究,以了解其在不同背景下的有效性。此外,整合从结构解析的pMHC-TCR复合物中的氨基酸接触概率得出的位置偏差权重矩阵(PBWM),可略微提高VitTCR的准确性。该模型的预测与T细胞克隆扩增和激活百分比等免疫因素显示出微弱但具有统计学意义的相关性,强调了VitTCR预测能力的生物学相关性。VitTCR成为预测TCR-肽相互作用的有价值的计算工具,为免疫疗法和疫苗开发提供了见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/5cdf41fadd32/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/6ba3a38461b1/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/b7dc165e55b7/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/4dfa0f8b71a4/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/e39b0f871058/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/7ad2c3c2b583/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/c84a00d8d566/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/5cdf41fadd32/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/6ba3a38461b1/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/b7dc165e55b7/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/4dfa0f8b71a4/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/e39b0f871058/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/7ad2c3c2b583/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/c84a00d8d566/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32ef/11070698/5cdf41fadd32/gr6.jpg

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本文引用的文献

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Can we predict T cell specificity with digital biology and machine learning?我们能否通过数字生物学和机器学习来预测 T 细胞特异性?
Nat Rev Immunol. 2023 Aug;23(8):511-521. doi: 10.1038/s41577-023-00835-3. Epub 2023 Feb 8.
2
Deep learning-based prediction of the T cell receptor-antigen binding specificity.基于深度学习的T细胞受体-抗原结合特异性预测
Nat Mach Intell. 2021 Oct;3(10):864-875. doi: 10.1038/s42256-021-00383-2. Epub 2021 Sep 23.
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NetTCR-2.0 enables accurate prediction of TCR-peptide binding by using paired TCRα and β sequence data.
NetTCR-2.0 通过使用配对的 TCRα 和β 序列数据实现了 TCR-肽结合的准确预测。
Commun Biol. 2021 Sep 10;4(1):1060. doi: 10.1038/s42003-021-02610-3.
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TITAN: T-cell receptor specificity prediction with bimodal attention networks.TITAN:基于双模态注意力网络的 T 细胞受体特异性预测。
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Predicting recognition between T cell receptors and epitopes with TCRGP.使用 TCRGP 预测 T 细胞受体与表位之间的识别
PLoS Comput Biol. 2021 Mar 25;17(3):e1008814. doi: 10.1371/journal.pcbi.1008814. eCollection 2021 Mar.
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Current challenges for unseen-epitope TCR interaction prediction and a new perspective derived from image classification.当前针对不可见表位 TCR 相互作用预测的挑战,以及源自图像分类的新视角。
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TCRdb: a comprehensive database for T-cell receptor sequences with powerful search function.TCRdb:一个带有强大搜索功能的 T 细胞受体序列综合数据库。
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Prediction of Specific TCR-Peptide Binding From Large Dictionaries of TCR-Peptide Pairs.从大型 TCR-肽对字典中预测特定 TCR-肽结合。
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Array programming with NumPy.使用 NumPy 进行数组编程。
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αβ and γδ T cell receptors: Similar but different.αβ 和 γδ T 细胞受体:相似但不同。
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