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Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the…

Signal Processing · Electrical Eng. & Systems 2025-11-03 Dian Chen , Yunkai Chen , Tong Lin , Sijie Chen , Xiaolin Cheng

We introduce dynamic nested sampling: a generalisation of the nested sampling algorithm in which the number of "live points" varies to allocate samples more efficiently. In empirical tests the new method significantly improves calculation…

Computation · Statistics 2019-08-27 Edward Higson , Will Handley , Mike Hobson , Anthony Lasenby

Understanding how stochastic gene expression is regulated in biological systems using snapshots of single-cell transcripts requires state-of-the-art methods of computational analysis and statistical inference. A Bayesian approach to…

Quantitative Methods · Quantitative Biology 2018-12-10 Yen Ting Lin , Nicolas E. Buchler

The key finding in the DNA double helix model is the specific pairing or binding between nucleotides A-T and C-G, and the pairing rules are the molecule basis of genetic code. Unfortunately, no such rules have been discovered for proteins.…

Biomolecules · Quantitative Biology 2017-02-28 Yuhong Wang , Junzhou Huang , Wei Li , Sheng Wang , Chuanfan Ding

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein…

Quantitative Methods · Quantitative Biology 2019-04-11 Carlos Fernandez-Lozano , Ruben F. Cuinas , Jose A. Seoane , Enrique Fernandez-Blanco , Julian Dorado , Cristian R. Munteanu

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

Mammalian cells have about 30,000-fold more protein molecules than mRNA molecules. This larger number of molecules and the associated larger dynamic range have major implications in the development of proteomics technologies. We examine…

Quantitative Methods · Quantitative Biology 2023-03-14 Michael J. MacCoss , Javier Alfaro , Meni Wanunu , Danielle A. Faivre , Nikolai Slavov

Given a mixed hyperspectral data set, linear unmixing aims at estimating the reference spectral signatures composing the data - referred to as endmembers - their abundance fractions and their number. In practice, the identified endmembers…

Methodology · Statistics 2016-01-20 Pierre-Antoine Thouvenin , Nicolas Dobigeon , Jean-Yves Tourneret

Self-assembly of proteins is a biological phenomenon which gives rise to spontaneous formation of amyloid fibrils or polymers. The starting point of this phase, called nucleation exhibits an important variability among replicated…

Biomolecules · Quantitative Biology 2016-03-22 Marie Doumic , Sarah Eugene , Philippe Robert

Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two…

Machine Learning · Computer Science 2026-03-05 Yinkai Wang , Yan Zhou Chen , Xiaohui Chen , Li-Ping Liu , Soha Hassoun

Cellular heterogeneity is important to biological processes, including cancer and development. However, proteome heterogeneity is largely unexplored because of the limitations of existing methods for quantifying protein levels in single…

Genomics · Quantitative Biology 2018-10-29 Bogdan Budnik , Ezra Levy , Guillaume Harmange , Nikolai Slavov

We introduce DNABERT-S, a tailored genome model that develops species-aware embeddings to naturally cluster and segregate DNA sequences of different species in the embedding space. Differentiating species from genomic sequences (i.e., DNA…

Genomics · Quantitative Biology 2024-10-23 Zhihan Zhou , Weimin Wu , Harrison Ho , Jiayi Wang , Lizhen Shi , Ramana V Davuluri , Zhong Wang , Han Liu

Nanopore protein sequencing produces long, noisy ionic current traces in which key molecular phases, such as protein capture and translocation, are embedded. Capture phases mark the successful entry of a protein into the pore and serve as…

Machine Learning · Computer Science 2025-11-04 Annabelle Martin , Daphne Kontogiorgos-Heintz , Jeff Nivala

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

High throughput sequencing (HTS)-based technology enables identifying and quantifying non-culturable microbial organisms in all environments. Microbial sequences have enhanced our understanding of the human microbiome, the soil and plant…

Applications · Statistics 2021-03-09 Pratheepa Jeganathan , Susan P. Holmes

The assumption that similar structures have similar folding probabilities ($p_{fold}$) leads naturally to a procedure to evaluate $p_{fold}$ for every snapshot saved along an equilibrium folding-unfolding trajectory of a structured peptide…

Biomolecules · Quantitative Biology 2009-11-11 Francesco Rao , Giovanni Settanni , Enrico Guarnera , Amedeo Caflisch

Unbiased, label-free proteomics is becoming a powerful technique for measuring protein expression in almost any biological sample. The output of these measurements after preprocessing is a collection of features and their associated…

We present a spectrogram separation method tailored for mixtures comprising two nonstationary components. By exploiting the unique characteristics of their time-frequency representations, we propose an inverse problem formulation to…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Adrien Meynard , Ama Marina Kreme

We present a method to estimate the segregation parameter, $S,$ a key input in a continuum transport model of particulate flows. $S$ is determined by minimizing the difference between measured and model-predicted concentration profiles. To…