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Statistical Shape Models (SSMs) excel at identifying population level anatomical variations, which is at the core of various clinical and biomedical applications, including morphology-based diagnostics and surgical planning. However, the…

Computer Vision and Pattern Recognition · Computer Science 2025-03-28 Asma Khan , Tushar Kataria , Janmesh Ukey , Shireen Y. Elhabian

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Protein quantification and analysis are well-accepted approaches for biomarker discovery but are limited to identification without structural information. High-throughput omics data (i.e., genomics, transcriptomics, and proteomics) have…

Quantitative Methods · Quantitative Biology 2025-06-13 Lucas Wilken , Nihjum Paul , Troy Timmerman , Sara A. Tolba , Amara Arshad , Di Wu , Wenjie Xia , Bakhtiyor Rasulev , Rick Jansen , Dali Sun

The evolution, regulation and sustenance of biological complexity is determined by protein-protein interaction network that is filled with dynamic events. Recent experimental evidences point out that clustering of proteins has a vital role…

Tissues and Organs · Quantitative Biology 2007-05-23 RV Krishnan

Detecting weak clustered signal in spatial data is important but challenging in applications such as medical image and epidemiology. A more efficient detection algorithm can provide more precise early warning, and effectively reduce the…

Methodology · Statistics 2019-04-09 Xin Zhang , Zhengyuan Zhu

Protein function is inherently linked to its localization within the cell, and fluorescent microscopy data is an indispensable resource for learning representations of proteins. Despite major developments in molecular representation…

Quantitative Methods · Quantitative Biology 2022-05-25 Anastasia Razdaibiedina , Alexander Brechalov

An approach that combines Self-Organizing maps, hierarchical clustering and network components is presented, aimed at comparing protein conformational ensembles obtained from multiple Molecular Dynamic simulations. As a first result the…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Domenico Fraccalvieri , Laura Bonati , Fabio Stella

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

Crosslinking Mass Spectrometry (MS) can uncover protein-protein interactions and provide structural information on proteins in their native cellular environments. Despite its promise, the field remains hampered by inconsistent data formats,…

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

We theorize that phylogenetic profiles provide a quantitative method that can relate the structural and functional properties of proteins, as well as their evolutionary relationships. A key feature of phylogenetic profiles is the…

Quantitative Methods · Quantitative Biology 2009-11-04 Yoojin Hong , Jaewoo Kang , Dongwon Lee , Randen L. Patterson , Damian B. van Rossum

The study of biological processes can greatly benefit from tools that automatically predict gene functions or directly cluster genes based on shared functionality. Existing data mining methods predict protein functionality by exploiting…

Machine Learning · Computer Science 2020-11-20 Kaiyu Shen , Razvan Bunescu , Sarah E. Wyatt

Proteins move and deform to ensure their biological functions. Despite significant progress in protein structure prediction, approximating conformational ensembles at physiological conditions remains a fundamental open problem. This paper…

Biomolecules · Quantitative Biology 2025-04-07 Valentin Lombard , Sergei Grudinin , Elodie Laine

Cellular identity and function are linked to both their intrinsic genomic makeup and extrinsic spatial context within the tissue microenvironment. Spatial transcriptomics (ST) offers an unprecedented opportunity to study this, providing in…

Machine Learning · Computer Science 2026-02-16 Rui Yan , Xiaohan Xing , Xun Wang , Zixia Zhou , Md Tauhidul Islam , Lei Xing

Proteomics will celebrate its 20th year in 2014. In this relatively short period of time, it has invaded most areas of biology and its use will probably continue to spread in the future. These two decades have seen a considerable increase…

Genomics · Quantitative Biology 2014-03-24 Thierry Rabilloud , Pierre Lescuyer

The ultimate target of proteomics identification is to identify and quantify the protein in the organism. Mass spectrometry (MS) based on label-free protein quantitation has mainly focused on analysis of peptide spectral counts and ion peak…

Quantitative Methods · Quantitative Biology 2013-12-05 Biao He , Baochang Zhang , Yan Fu

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with…

Quantitative Methods · Quantitative Biology 2018-08-03 Piotr Klukowski , Adam Gonczarek