The Skyline ecosystem: Informatics for quantitative mass spectrometry proteomics

LK Pino, BC Searle, JG Bollinger… - Mass spectrometry …, 2020 - Wiley Online Library
Skyline is a freely available, open‐source Windows client application for accelerating
targeted proteomics experimentation, with an emphasis on the proteomics and mass …

Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies

MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019 - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

A cross-platform toolkit for mass spectrometry and proteomics

MC Chambers, B Maclean, R Burke, D Amodei… - Nature …, 2012 - nature.com
for processing and analyzing complex proteomics data sets in a platform-agnostic manner
has become critical. With version 3.0 of the ProteoWizard Toolkit8, we attempt to mitigate …

Comet: an open‐source MS/MS sequence database search tool

JK Eng, TA Jahan, MR Hoopmann - Proteomics, 2013 - Wiley Online Library
Proteomics research routinely involves identifying peptides and proteins via MS/MS
sequence database search. Thus the database search engine is an integral tool in many …

Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

F Giacomoni, G Le Corguille, M Monsoor… - …, 2015 - academic.oup.com
The complex, rapidly evolving field of computational metabolomics calls for collaborative
infrastructures where the large volume of new algorithms for data pre-processing, statistical …

The critical role that spectral libraries play in capturing the metabolomics community knowledge

W Bittremieux, M Wang, PC Dorrestein - Metabolomics, 2022 - Springer
Background Spectral library searching is currently the most common approach for
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …

Quantitative reactivity profiling predicts functional cysteines in proteomes

E Weerapana, C Wang, GM Simon, F Richter, S Khare… - Nature, 2010 - nature.com
Cysteine is the most intrinsically nucleophilic amino acid in proteins, where its reactivity is
tuned to perform diverse biochemical functions. The absence of a consensus sequence that …

Serine is a natural ligand and allosteric activator of pyruvate kinase M2

B Chaneton, P Hillmann, L Zheng, ACL Martin… - Nature, 2012 - nature.com
Cancer cells exhibit several unique metabolic phenotypes that are critical for cell growth and
proliferation. Specifically, they overexpress the M2 isoform of the tightly regulated enzyme …

EVpedia: an integrated database of high‐throughput data for systemic analyses of extracellular vesicles

DK Kim, B Kang, OY Kim, D Choi, J Lee… - Journal of …, 2013 - Wiley Online Library
Secretion of extracellular vesicles is a general cellular activity that spans the range from
simple unicellular organisms (eg archaea; Gram‐positive and Gram‐negative bacteria) to …

A comparative evaluation of the generalised predictive ability of eight machine learning algorithms across ten clinical metabolomics data sets for binary classification

KM Mendez, SN Reinke, DI Broadhurst - Metabolomics, 2019 - Springer
Introduction Metabolomics is increasingly being used in the clinical setting for disease
diagnosis, prognosis and risk prediction. Machine learning algorithms are particularly …