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A device capable of performing real time classification of proteins in a clinical setting would allow for inexpensive and rapid disease diagnosis. One such candidate for this technology are nanopore devices. These devices work by measuring…

Machine Learning · Computer Science 2025-09-18 Samuel Tovey , Julian Hoßbach , Sandro Kuppel , Tobias Ensslen , Jan C. Behrends , Christian Holm

Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advancements in pre-trained models for biomolecules have…

Machine Learning · Computer Science 2025-03-07 Yiheng Zhu , Mingyang Li , Junlong Liu , Kun Fu , Jiansheng Wu , Qiuyi Li , Mingze Yin , Jieping Ye , Jian Wu , Zheng Wang

Summary: Hydrogen deuterium exchange mass spectrometry (HDX-MS) is becoming increasing routine for monitoring changes in the structural dynamics of proteins. Differential HDX-MS allows comparison of individual protein states, such as in the…

Quantitative Methods · Quantitative Biology 2020-05-19 Andy M. Lau , Jurgen Claesen , Kjetil Hansen , Argyris Politis

Diabetes impacts the quality of life of millions of people. However, diabetes diagnosis is still an arduous process, given that the disease develops and gets treated outside the clinic. The emergence of wearable medical sensors (WMSs) and…

Computer Vision and Pattern Recognition · Computer Science 2019-10-14 Hongxu Yin , Bilal Mukadam , Xiaoliang Dai , Niraj K. Jha

Most existing person re-identification (ReID) methods have good feature representations to distinguish pedestrians with deep convolutional neural network (CNN) and metric learning methods. However, these works concentrate on the similarity…

Computer Vision and Pattern Recognition · Computer Science 2019-08-19 Peng Chen , Tong Jia , Pengfei Wu , Jianjun Wu , Dongyue Chen

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide…

Quantitative Methods · Quantitative Biology 2024-11-01 Jingbo Zhou , Shaorong Chen , Jun Xia , Sizhe Liu , Tianze Ling , Wenjie Du , Yue Liu , Jianwei Yin , Stan Z. Li

Deep learning models have shown their advantage in many different tasks, including neuroimage analysis. However, to effectively train a high-quality deep learning model, the aggregation of a significant amount of patient information is…

Machine Learning · Computer Science 2020-12-08 Xiaoxiao Li , Yufeng Gu , Nicha Dvornek , Lawrence Staib , Pamela Ventola , James S. Duncan

The unbounded permutations of biological molecules, including proteins and their constituent peptides, presents a dilemma in identifying the components of complex biosamples. Sequence search algorithms used to identify peptide spectra can…

Quantitative Methods · Quantitative Biology 2023-05-17 Lewis Y. Geer , Joel Lapin , Douglas J. Slotta , Tytus D. Mak , Stephen E. Stein

Liquid chromatography coupled with tandem mass spectrometry, also known as shotgun proteomics, is a widely-used high-throughput technology for identifying proteins in complex biological samples. Analysis of the tens of thousands of…

Molecular Networks · Quantitative Biology 2014-10-30 Shengjie Wang , John T. Halloran , Jeff A. Bilmes , William S. Noble

Dietary supplements are used by a large portion of the population, but information on their pharmacologic interactions is incomplete. To address this challenge, we present SUPP.AI, an application for browsing evidence of supplement-drug…

Computation and Language · Computer Science 2020-07-08 Lucy Lu Wang , Oyvind Tafjord , Arman Cohan , Sarthak Jain , Sam Skjonsberg , Carissa Schoenick , Nick Botner , Waleed Ammar

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon

Graph theory and graph mining constitute rich fields of computational techniques to study the structures, topologies and properties of graphs. These techniques constitute a good asset in bioinformatics if there exist efficient methods for…

Biomolecules · Quantitative Biology 2016-04-04 Wajdi Dhifli , Abdoulaye Baniré Diallo

Defect phase diagrams provide a unified description of crystal defect states for materials design and are central to the scientific objectives of the Collaborative Research Centre (CRC) 1394. Their construction requires the systematic…

The detection and normalization of diseases in biomedical texts are key biomedical natural language processing tasks. Disease names need not only be identified, but also normalized or linked to clinical taxonomies describing diseases such…

Computation and Language · Computer Science 2020-10-27 Dhruba Pujary , Camilo Thorne , Wilker Aziz

Mapping X-ray images, radiology reports, and other medical data as binary codes in the common space, which can assist clinicians to retrieve pathology-related data from heterogeneous modalities (i.e., hashing-based cross-modal medical data…

Machine Learning · Computer Science 2022-05-18 Yufeng Shi , Shuhuang Chen , Xinge You , Qinmu Peng , Weihua Ou , Yue Zhao

The advancements in data acquisition, storage, and processing techniques have resulted in the rapid growth of heterogeneous medical data. Integrating radiological scans, histopathology images, and molecular information with clinical data is…

Machine Learning · Computer Science 2023-12-25 Aakash Tripathi , Asim Waqas , Kavya Venkatesan , Yasin Yilmaz , Ghulam Rasool

Current imaging methods for diagnosing BC are associated with limited sensitivity and specificity and modest positive predictive power. The recent progress in image analysis using artificial intelligence (AI) has created great promise to…

Image and Video Processing · Electrical Eng. & Systems 2024-06-24 Reza Elahi , Mahdis Nazari

Pathway enrichment analysis has become a key tool for biomedical researchers to gain insight into the underlying biology of differentially expressed genes, proteins and metabolites. It reduces complexity and provides a system-level view of…

Methodology · Statistics 2016-06-24 Jing Ma , Ali Shojaie , George Michailidis

Summary: We introduce RBPBind, a web-based tool for the quantitative prediction of RNA-protein interactions. Given a user-specified RNA and a protein selected from a set of several common RNA-binding proteins, RBPBind computes the binding…

Biomolecules · Quantitative Biology 2016-11-07 Jeff Gaither , Yi-Hsuan Lin , Ralf Bundschuh

This study integrates PET metabolic information with CT anatomical structures to establish a 3D multimodal segmentation dataset for lymphoma based on whole-body FDG PET/CT examinations, which bridges the gap of the lack of standardised…

Image and Video Processing · Electrical Eng. & Systems 2025-12-08 Jiajun Ding , Beiyao Zhu , Xiaosheng Liu , Lishen Zhang , Zhao Liu
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