{"title":"PhosF3C:一种具有微调蛋白语言模型和构象的特征融合结构,用于预测一般磷酸化位点。","authors":"Yuhuan Liu, Xueying Wang, Haitian Zhong, Jixiu Zhai, Xiaojuan Gong, Tianchi Lu","doi":"10.1093/bib/bbaf242","DOIUrl":null,"url":null,"abstract":"<p><p>Protein phosphorylation, a key post-translational modification, provides essential insight into protein properties, making its prediction highly significant. Using the emerging capabilities of large language models (LLMs), we apply Low-Rank Adaptation (LoRA) fine-tuning to ESM2, a powerful protein large language model, to efficiently extract features with minimal computational resources, optimizing task-specific text alignment. Additionally, we integrate the conformer architecture with the feature coupling unit to enhance local and global feature exchange, further improving prediction accuracy. Our model achieves state-of-the-art performance, obtaining area under the curve scores of 79.5%, 76.3%, and 71.4% at the S, T, and Y sites of the general data sets. Based on the powerful feature extraction capabilities of LLMs, we conduct a series of analyses on protein representations, including studies on their structure, sequence, and various chemical properties [such as hydrophobicity (GRAVY), surface charge, and isoelectric point]. We propose a test method called linear regression tomography which is a top-down method using representation to explore the model's feature extraction capabilities. Our resources, including data and code, are publicly accessible at https://github.com/SkywalkerLuke/PhosF3C.</p>","PeriodicalId":9209,"journal":{"name":"Briefings in bioinformatics","volume":"26 3","pages":""},"PeriodicalIF":6.8000,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"PhosF3C: a feature fusion architecture with fine-tuned protein language model and conformer for prediction of general phosphorylation site.\",\"authors\":\"Yuhuan Liu, Xueying Wang, Haitian Zhong, Jixiu Zhai, Xiaojuan Gong, Tianchi Lu\",\"doi\":\"10.1093/bib/bbaf242\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Protein phosphorylation, a key post-translational modification, provides essential insight into protein properties, making its prediction highly significant. Using the emerging capabilities of large language models (LLMs), we apply Low-Rank Adaptation (LoRA) fine-tuning to ESM2, a powerful protein large language model, to efficiently extract features with minimal computational resources, optimizing task-specific text alignment. Additionally, we integrate the conformer architecture with the feature coupling unit to enhance local and global feature exchange, further improving prediction accuracy. Our model achieves state-of-the-art performance, obtaining area under the curve scores of 79.5%, 76.3%, and 71.4% at the S, T, and Y sites of the general data sets. Based on the powerful feature extraction capabilities of LLMs, we conduct a series of analyses on protein representations, including studies on their structure, sequence, and various chemical properties [such as hydrophobicity (GRAVY), surface charge, and isoelectric point]. We propose a test method called linear regression tomography which is a top-down method using representation to explore the model's feature extraction capabilities. Our resources, including data and code, are publicly accessible at https://github.com/SkywalkerLuke/PhosF3C.</p>\",\"PeriodicalId\":9209,\"journal\":{\"name\":\"Briefings in bioinformatics\",\"volume\":\"26 3\",\"pages\":\"\"},\"PeriodicalIF\":6.8000,\"publicationDate\":\"2025-05-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Briefings in bioinformatics\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://doi.org/10.1093/bib/bbaf242\",\"RegionNum\":2,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Briefings in bioinformatics","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1093/bib/bbaf242","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
PhosF3C: a feature fusion architecture with fine-tuned protein language model and conformer for prediction of general phosphorylation site.
Protein phosphorylation, a key post-translational modification, provides essential insight into protein properties, making its prediction highly significant. Using the emerging capabilities of large language models (LLMs), we apply Low-Rank Adaptation (LoRA) fine-tuning to ESM2, a powerful protein large language model, to efficiently extract features with minimal computational resources, optimizing task-specific text alignment. Additionally, we integrate the conformer architecture with the feature coupling unit to enhance local and global feature exchange, further improving prediction accuracy. Our model achieves state-of-the-art performance, obtaining area under the curve scores of 79.5%, 76.3%, and 71.4% at the S, T, and Y sites of the general data sets. Based on the powerful feature extraction capabilities of LLMs, we conduct a series of analyses on protein representations, including studies on their structure, sequence, and various chemical properties [such as hydrophobicity (GRAVY), surface charge, and isoelectric point]. We propose a test method called linear regression tomography which is a top-down method using representation to explore the model's feature extraction capabilities. Our resources, including data and code, are publicly accessible at https://github.com/SkywalkerLuke/PhosF3C.
期刊介绍:
Briefings in Bioinformatics is an international journal serving as a platform for researchers and educators in the life sciences. It also appeals to mathematicians, statisticians, and computer scientists applying their expertise to biological challenges. The journal focuses on reviews tailored for users of databases and analytical tools in contemporary genetics, molecular and systems biology. It stands out by offering practical assistance and guidance to non-specialists in computerized methodologies. Covering a wide range from introductory concepts to specific protocols and analyses, the papers address bacterial, plant, fungal, animal, and human data.
The journal's detailed subject areas include genetic studies of phenotypes and genotypes, mapping, DNA sequencing, expression profiling, gene expression studies, microarrays, alignment methods, protein profiles and HMMs, lipids, metabolic and signaling pathways, structure determination and function prediction, phylogenetic studies, and education and training.