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Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

Machine Learning · Computer Science 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the…

Signal Processing · Electrical Eng. & Systems 2025-11-03 Dian Chen , Yunkai Chen , Tong Lin , Sijie Chen , Xiaolin Cheng

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

Background: Photoplethysmography (PPG) is a non-invasive optical sensing technique widely used to capture hemodynamic information, with broad deployment in both clinical monitoring systems and wearable devices. In recent years, the…

Artificial Intelligence · Computer Science 2026-05-06 Guangkun Nie , Jiabao Zhu , Gongzheng Tang , Deyun Zhang , Shijia Geng , Qinghao Zhao , Shenda Hong

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

Parameter-efficient fine-tuning (PEFT) techniques have emerged to address overfitting and high computational costs associated with fully fine-tuning in self-supervised learning. Mainstream PEFT methods add a few trainable parameters while…

Computer Vision and Pattern Recognition · Computer Science 2025-06-06 Xingliang Lei , Yiwen Ye , Zhisong Wang , Ziyang Chen , Minglei Shu , Weidong Cai , Yanning Zhang , Yong Xia

Many clinical deep learning algorithms are population-based and difficult to interpret. Such properties limit their clinical utility as population-based findings may not generalize to individual patients and physicians are reluctant to…

Signal Processing · Electrical Eng. & Systems 2020-12-01 Dani Kiyasseh , Tingting Zhu , David A. Clifton

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Text embeddings have attracted growing interest due to their effectiveness across a wide range of natural language processing (NLP) tasks, including retrieval, classification, clustering, bitext mining, and summarization. With the emergence…

Computation and Language · Computer Science 2025-11-27 Meishan Zhang , Xin Zhang , Xinping Zhao , Shouzheng Huang , Baotian Hu , Min Zhang

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Post-translational modifications (PTMs) form a combinatorial "code" that regulates protein function, yet deciphering this code - linking modified sites to their catalytic enzymes - remains a central unsolved problem in understanding…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jingjie Zhang , Hanqun Cao , Zijun Gao , Yu Wang , Shaoning Li , Jun Xu , Cheng Tan , Jun Zhu , Chang-Yu Hsieh , Chunbin Gu , Pheng Ann Heng

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent…

Computation and Language · Computer Science 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang

Peptide-drug conjugates (PDCs) represent a promising therapeutic avenue for human diseases, particularly in cancer treatment. Systematic elucidation of structure-activity relationships (SARs) and accurate prediction of the activity of PDCs…

Machine Learning · Computer Science 2025-06-17 Yun Liu , Jintu Huang , Yingying Zhu , Congrui Wen , Yu Pang , Ji-Quan Zhang , Ling Wang

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Tandem mass spectrometry provides a high-throughput framework for identifying and quantifying proteins in complex biological samples. In computational proteomics, predicting peptide MS/MS spectra is a critical task, enabling downstream…

Machine Learning · Computer Science 2026-05-05 Zhiwen Yang , Pan Liu , Yifan Li , Yunhua Zhong , Jun Xia

Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…

Prompt Tuning (PT) enables the adaptation of Pre-trained Large Language Models (PLMs) to downstream tasks by optimizing a small amount of soft virtual tokens, which are prepended to the input token embeddings. Recently, Decomposed Prompt…

Computation and Language · Computer Science 2025-12-23 Pengwei Tang , Xiaolin Hu , Yong Liu