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改进了对抗原-抗体相互作用的深度学习预测
Mu Gao1,2, Jeffrey Skolnick1
1Center for the Study of Systems Biology, School of Biological Sciences, Georgia Institute of Technology, Atlanta, GA 30332.
概括
深度学习准确地预测了针对SARS-CoV-2尖端蛋白的抗体.
科学领域:
- 免疫学 免疫学 免疫学
- 计算生物学 计算生物学
- 结构生物学 结构生物学
背景情况:
- 鉴定中和抗体对于免疫治疗的发展至关重要,但仍然具有挑战性.
- 深度学习提供了一个有前途的计算方法来预测抗体-抗原相互作用.
- 严重急性呼吸道综合征冠状病毒2 (SARS-CoV-2) 尖端蛋白受体结合域是一个关键目标.
研究的目的:
- 评估深度学习方法的性能,以预测针对SARS-CoV-2尖端蛋白受体结合域的抗体.
- 在深度学习模型中比较构建输入序列对齐的不同策略.
- 评估深度学习的准确性和潜力与单个B细胞测序一起用于抗体发现.
主要方法:
- 利用两个基准测试来评估深度学习模型的性能.
- 采用了三种不同的策略来创建输入序列对齐,以预测抗原-抗体复合体.
- 应用深度学习模型来预测抗体与SARS-CoV-2尖端蛋白受体结合域的结合.
- 在已知实验结构的测试组和更大的抗体组的测试组上验证了性能.
主要成果:
- 深度学习策略总的来说,在已知的结构上实现了61%的顶级预测和47%的成功率.
- 一种使用已知的抗原结合剂序列的策略实现了90%的精度,但在较大的测试组中,回忆率为25%.
- 表现最好的策略在识别真实抗体结合剂方面表现出高精度.
结论:
- 深度学习方法显示出预测抗原-抗体相互作用的巨大潜力.
- 将深度学习与单个B细胞测序相结合,可以提高抗体预测的准确性.
- 这项研究强调了一种有希望的计算方法,以加速免疫疗法的发展.
相关概念视频
Affinity and Avidity
Overview
Cross-reactivity
Overview
Antigens Involved in Adaptive Immunity
An antigen is any substance the immune system identifies as foreign and potentially harmful to the body, prompting an immune response. Antigens have two functional properties: immunogenicity and reactivity. Immunogenicity is the ability of an antigen to stimulate a specific immune response. At the same time, reactivity describes the antigen's ability to react with the cells and antibodies produced in response to it.
Complete Antigens
Complete antigens possess both immunogenicity and reactivity.
Complete Antigens
Complete antigens possess both immunogenicity and reactivity.
Antibody Actions
Antibodies, or immunoglobulins, are critical players in the immune system's arsenal against invading pathogens. Produced by B cells and plasma cells, their primary role is to detect and bind to specific antigens, molecules found on the surface of pathogens like bacteria or viruses. Beyond antigen recognition, antibodies perform several vital functions that contribute to immune defense.
Neutralization
Antibodies can bind to pathogens, preventing them from infecting host cells. This process...
Neutralization
Antibodies can bind to pathogens, preventing them from infecting host cells. This process...

