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Proteins perform nearly all cellular functions and constitute most drug targets, making their analysis fundamental to understanding human biology in health and disease. Tandem mass spectrometry (MS$^2$) is the major analytical technique in…

Biomolecules · Quantitative Biology 2025-09-01 Hao Xu , Zhichao Wang , Shengqi Sang , Pisit Wajanasara , Nuno Bandeira

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models with Graph Neural Networks (GNNs) to predict peptide…

Quantitative Methods · Quantitative Biology 2024-07-08 Srivathsan Badrinarayanan , Chakradhar Guntuboina , Parisa Mollaei , Amir Barati Farimani

Bayesian network models are finding success in characterizing enzyme-catalyzed reactions, slow conformational changes, predicting enzyme inhibition, and genomics. In this work, we apply them to statistical modeling of peptides by…

Applications · Statistics 2018-10-09 Rainier Barrett , Shaoyi Jiang , Andrew D White

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

Purpose Nanopore-based molecular sensing and measurement, specifically Deoxyribonucleic acid (DNA) sequencing, is advancing at a fast pace. Some embodiments have matured from coarse particle counters to enabling full human genome assembly.…

Instrumentation and Detectors · Physics 2021-10-06 Mehdi Habibi , Yunus Dawji , Ebrahim Ghafar-Zadeh , Sebastian Magierowski

DNA nanotechnology uses predictable interactions of nucleic acids to precisely engineer complex nanostructures. Characterizing these self-assembled structures at the single-structure level is crucial for validating their design and…

Biological Physics · Physics 2025-10-21 Wangwei Dong , Zezhou Liu , Ruiyao Liu , Deborah Kuchnir Fygenson , Walter Reisner

The integration and parallelization of nanopore sensors are essential for improving the throughput of nanopore measurements. Solid-state nanopores traditionally have been used in isolation, which prevents the realization of their full…

Mesoscale and Nanoscale Physics · Physics 2024-09-23 Peter D. Jones , Michael Mierzejewski

Semiconductor nanoplatelets possess exceptional optical properties that make them promising candidates for next-generation optoelectronic applications. However, unlike quantum dots where absorption spectroscopy alone can determine both size…

Rationale: In a shotgun proteomics experiment with data-dependent acquisition, real-time analysis of a precursor scan results in selection of a handful of peaks for subsequent isolation, fragmentation and secondary scanning. This peak…

Quantitative Methods · Quantitative Biology 2012-07-26 Benjamin J. Diament , Michael J. MacCoss , William Stafford Noble

Protein phosphorylation provides a dynamic readout of cellular signaling yet remains difficult to detect at low abundance and stoichiometry. Single-molecule surface-enhanced Raman spectroscopy (SM-SERS) using particle-in-pore plasmonic…

Mesoscale and Nanoscale Physics · Physics 2026-04-09 Mulusew W. Yaltaye , Yingqi Zhao , Kuo Zhan , Vahid Farrahi , Jian-An Huang

Solid-state nanopores have received substantial attention in the past years owing to their simplicity and potential applications expected in genomics, sensing, archival information storage, and computing. The underlying sensing technique of…

Biological Physics · Physics 2025-08-27 Muhammad Sajeer P , Manoj M. Varma

There are numerous peptides discovered through past decades, which exhibit antimicrobial and anti-cancerous tendencies. Due to these reasons, peptides are supposed to be sound therapeutic candidates. Some peptides can pose low metabolic…

Machine Learning · Computer Science 2020-12-14 Ali Raza , Hafiz Saud Arshad

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Genomics · Quantitative Biology 2016-03-08 Dan Ofer

Post-translational modifications (PTMs) play essential roles in regulating protein structure, function, and cellular signalling. However, peptide level discrimination of hydroxylation at the single-molecule level remains difficult. Here, we…

Purpose: This study aimed to enhance protein sequence classification using natural language processing (NLP) techniques while addressing the impact of sequence similarity on model performance. We compared various machine learning and deep…

Quantitative Methods · Quantitative Biology 2025-05-26 Huma Perveen , Julie Weeds

We mimic random nanowire networks by the homogeneous, isotropic, and random deposition of conductive zero-width sticks onto an insulating substrate. The number density (the number of objects per unit area of the surface) of these sticks is…

Statistical Mechanics · Physics 2021-07-02 Yuri Yu. Tarasevich , Andrei V. Eserkepov , Renat K. Akhunzhanov , Mikhail V. Ulyanov

Nanopore sequencing of DNA is a single-molecule technique that may achieve long reads, low cost, and high speed with minimal sample preparation and instrumentation. Here, we build on recent progress with respect to nanopore resolution and…

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

As proteins with similar structures often have similar functions, analysis of protein structures can help predict protein functions and is thus important. We consider the problem of protein structure classification, which computationally…

Machine Learning · Statistics 2019-10-08 Hongyu Guo , Khalique Newaz , Scott Emrich , Tijana Milenkovic , Jun Li

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson