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The structure of proteins is essential for its function. The determination of protein structures is possible by experimental or predicted by computational methods, but also a combination of both approaches is possible. Here, first an…

Other Quantitative Biology · Quantitative Biology 2020-03-03 Gerhard Mayer

Semi-supervised semantic segmentation requires the model to effectively propagate the label information from limited annotated images to unlabeled ones. A challenge for such a per-pixel prediction task is the large intra-class variation,…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Hai-Ming Xu , Lingqiao Liu , Qiuchen Bian , Zhen Yang

Subcellular localization is a crucial biological task for drug target identification and function annotation. Although it has been biologically realized that subcellular localization is closely associated with protein structure, no existing…

Artificial Intelligence · Computer Science 2026-03-20 Yicheng Hu , Xinyu Lin , Shulin Li , Wenjie Wang , Fengbin Zhu , Fuli Feng

Super-resolution microscopy has catalyzed valuable insights into the sub-cellular, mechanistic details of many different biological processes across a wide range of cell types. Fluorescence polarization spectroscopy tools have also enabled…

Biological Physics · Physics 2023-01-25 Jack W Shepherd , Alex L Payne-Dwyer , Ji-Eun Lee , Aisha Syeda , Mark C Leake

We investigate whether synthetic images generated by diffusion models can enhance multi-label classification of protein subcellular localization. Specifically, we implement a simplified class-conditional denoising diffusion probabilistic…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Sylvey Lin , Zhi-Yi Cao

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

In this paper, we introduce a Fast and Scalable Semi-supervised Multi-view Subspace Clustering (FSSMSC) method, a novel solution to the high computational complexity commonly found in existing approaches. FSSMSC features linear…

Machine Learning · Computer Science 2024-08-13 Huaming Ling , Chenglong Bao , Jiebo Song , Zuoqiang Shi

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

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

In several application domains, high-dimensional observations are collected and then analysed in search for naturally occurring data clusters which might provide further insights about the nature of the problem. In this paper we describe a…

Machine Learning · Statistics 2012-03-07 Brian McWilliams , Giovanni Montana

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Understanding the spatial architecture of the tumor microenvironment (TME) is critical to advance precision oncology. We present ProteinPNet, a novel framework based on prototypical part networks that discovers TME motifs from spatial…

Machine Learning · Computer Science 2025-12-03 Louis McConnell , Jieran Sun , Theo Maffei , Raphael Gottardo , Marianna Rapsomaniki

Mixture - modeling of mass spectra is an approach with many potential applications including peak detection and quantification, smoothing, de-noising, feature extraction and spectral signal compression. However, existing algorithms do not…

Computation · Statistics 2015-08-04 Andrzej Polanski , Michal Marczyk , Monika Pietrowska , Piotr Widlak , Joanna Polanska

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Spatial transcriptomics enables gene expression profiling with spatial context, offering unprecedented insights into the tissue microenvironment. However, most computational models treat genes as isolated numerical features, ignoring the…

Machine Learning · Computer Science 2025-11-17 Jiangkai Long , Yanran Zhu , Chang Tang , Kun Sun , Yuanyuan Liu , Xuesong Yan

We propose a construction for joint feature learning and clustering of multichannel extracellular electrophysiological data across multiple recording periods for action potential detection and discrimination ("spike sorting"). Our…

Proteins are biomolecules of life. They fold into a great variety of three-dimensional (3D) shapes. Underlying these folding patterns are many recurrent structural fragments or building blocks (analogous to `LEGO bricks'). This paper…

Quantitative Methods · Quantitative Biology 2013-10-08 Arun S. Konagurthu , Arthur M. Lesk , David Abramson , Peter J. Stuckey , Lloyd Allison

Data mixing augmentation has proved effective in training deep models. Recent methods mix labels mainly based on the mixture proportion of image pixels. As the main discriminative information of a fine-grained image usually resides in…

Computer Vision and Pattern Recognition · Computer Science 2020-12-10 Shaoli Huang , Xinchao Wang , Dacheng Tao

Understanding protein dynamics are essential for deciphering protein functional mechanisms and developing molecular therapies. However, the complex high-dimensional dynamics and interatomic interactions of biological processes pose…

Quantitative Methods · Quantitative Biology 2025-05-15 Tiexin Qin , Mengxu Zhu , Chunyang Li , Terry Lyons , Hong Yan , Haoliang Li