Sequence-to-sequence translation from mass spectra to peptides with a transformer model

M Yilmaz, WE Fondrie, W Bittremieux… - Nature …, 2024 - nature.com
A fundamental challenge in mass spectrometry-based proteomics is the identification of the
peptide that generated each acquired tandem mass spectrum. Approaches that leverage …

Deep learning methods for de novo peptide sequencing

W Bittremieux, V Ananth, WE Fondrie… - Mass Spectrometry …, 2024 - Wiley Online Library
Protein tandem mass spectrometry data are most often interpreted by matching observed
mass spectra to a protein database derived from the reference genome of the sample being …

π-PrimeNovo: an accurate and efficient non-autoregressive deep learning model for de novo peptide sequencing

X Zhang, T Ling, Z **, S Xu, Z Gao, B Sun… - Nature …, 2025 - nature.com
Peptide sequencing via tandem mass spectrometry (MS/MS) is essential in proteomics.
Unlike traditional database searches, deep learning excels at de novo peptide sequencing …

A multi-species benchmark for training and validating mass spectrometry proteomics machine learning models

B Wen, WS Noble - Scientific Data, 2024 - nature.com
Training machine learning models for tasks such as de novo sequencing or spectral
clustering requires large collections of confidently identified spectra. Here we describe a …

Metaproteomics beyond databases: addressing the challenges and potentials of de novo sequencing

T Van Den Bossche, D Beslic, S van Puyenbroeck… - …, 2024 - Wiley Online Library
Metaproteomics enables the large‐scale characterization of microbial community proteins,
offering crucial insights into their taxonomic composition, functional activities, and …

De novo peptide sequencing with InstaNovo: Accurate, database-free peptide identification for large scale proteomics experiments

K Eloff, K Kalogeropoulos, O Morell, A Mabona… - bioRxiv, 2023 - biorxiv.org
Bottom-up mass spectrometry-based proteomics is challenged by the task of identifying the
peptide that generates a tandem mass spectrum. Traditional methods that rely on known …

[HTML][HTML] Pre-trained Maldi Transformers improve MALDI-TOF MS-based prediction

G De Waele, G Menschaert, P Vandamme… - Computers in Biology …, 2025 - Elsevier
For the last decade, matrix-assisted laser desorption/ionization time-of-flight mass
spectrometry (MALDI-TOF MS) has been the reference method for species identification in …

A transformer model for de novo sequencing of data-independent acquisition mass spectrometry data

J Sanders, B Wen, P Rudnick, R Johnson, CC Wu… - bioRxiv, 2024 - biorxiv.org
A core computational challenge in the analysis of mass spectrometry data is the de novo
sequencing problem, in which the generating amino acid sequence is inferred directly from …