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Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Biomolecules · Quantitative Biology 2024-03-08 Zhaoqun Li , Jingcheng Yu , Qiwei Ye

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Understanding the structural and functional characteristics of proteins are crucial for developing preventative and curative strategies that impact fields from drug discovery to policy development. An important and popular technique for…

Machine Learning · Computer Science 2024-10-17 Sarwan Ali , Taslim Murad , Prakash Chourasia , Haris Mansoor , Imdad Ullah Khan , Pin-Yu Chen , Murray Patterson

The alignment of biological sequences such as DNA, RNA, and proteins, is one of the basic tools that allow to detect evolutionary patterns, as well as functional/structural characterizations between homologous sequences in different…

Quantitative Methods · Quantitative Biology 2023-05-01 Louise Budzynski , Andrea Pagnani

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

We present an automated approach for identifying and annotating motifs and domains in protein sequences, using pretrained Protein Language Models (PLMs) and Concept Activation Vectors (CAVs), adapted from interpretability research in…

Quantitative Methods · Quantitative Biology 2025-11-27 Ahmad Shamail , Claire D. McWhite

Predicting protein secondary structure is essential for understanding protein function and advancing drug discovery. However, the intricate sequence-structure relationship poses significant challenges for accurate modeling. To address…

Machine Learning · Computer Science 2026-03-16 Yining Qian , Lijie Su , Meiling Xu , Xianpeng Wang

The identification of essential proteins in protein-protein interaction networks (PINs) can help to discover drug targets and prevent disease. In order to improve the accuracy of the identification of essential proteins, researchers…

Molecular Networks · Quantitative Biology 2023-12-08 Haoyue Wang , Li Pan , Bo Yang , Junqiang Jiang , Wenbin Li

The worldwide surge of multiresistant microbial strains has propelled the search for alternative treatment options. The study of Protein-Protein Interactions (PPIs) has been a cornerstone in the clarification of complex physiological and…

Ultrasound standard plane recognition is essential for clinical tasks such as disease screening, organ evaluation, and biometric measurement. However, existing methods fail to effectively exploit shallow structural information and struggle…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Qing Cai , Guihao Yan , Fan Zhang , Cheng Zhang , Zhi Liu

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

Breast cancer's complexity and variability pose significant challenges in understanding its progression and guiding effective treatment. This study aims to integrate protein sequence data with expression levels to improve the molecular…

Biomolecules · Quantitative Biology 2025-10-31 Hossein Sholehrasa , Majid Jaberi-Douraki

Highly directional mmWave/THz links require rapid beam alignment, yet exhaustive codebook sweeps incur prohibitive training overhead. This letter proposes a sensing-assisted adaptive probing policy that maps multimodal sensing…

Signal Processing · Electrical Eng. & Systems 2026-03-26 Abidemi Orimogunje , Vukan Ninkovic , Ognjen Kundacina , Hyunwoo Park , Sunwoo Kim , Dejan Vukobratovic , Evariste Twahirwa , Gaspard Gashema

Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…

Biomolecules · Quantitative Biology 2025-02-27 Sören von Bülow , Giulio Tesei , Kresten Lindorff-Larsen

One of the fundamental tasks in understanding genomics is the problem of predicting Transcription Factor Binding Sites (TFBSs). With more than hundreds of Transcription Factors (TFs) as labels, genomic-sequence based TFBS prediction is a…

Machine Learning · Computer Science 2017-11-13 Jack Lanchantin , Arshdeep Sekhon , Ritambhara Singh , Yanjun Qi

Background: Exonic splice enhancers are sequences embedded within exons which promote and regulate the splicing of the transcript in which they are located. A class of exonic splice enhancers are the SR proteins, which are thought to…

Genomics · Quantitative Biology 2007-05-23 Thomas A. Down , Bernard Leong , Tim J. P. Hubbard

Fine-tuning Pre-trained protein language models (PLMs) has emerged as a prominent strategy for enhancing downstream prediction tasks, often outperforming traditional supervised learning approaches. As a widely applied powerful technique in…

Computation and Language · Computer Science 2024-04-24 Yang Tan , Mingchen Li , Bingxin Zhou , Bozitao Zhong , Lirong Zheng , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

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

Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature. We here present a community-driven initiative to address…