Steffen Neumann

MassBank Human: The annotated human metabolome

The paper develops MassBank Human, a curated metabolomics resource that improves structural annotation of the human metabolome, doubling coverage in colorectal cancer cells and identifying acetylated polyamines as metabolic markers.

mzQC: a versatile way to communicate quality information for biological mass spectrometry

The paper introduces mzQC, a standard for representing quality control metrics in mass spectrometry, enabling interoperable and machine-readable QC reporting.

Essential Molecular Variables of liverworts in biological soil crusts

The paper identifies Essential Molecular Variables (EMVs) in liverworts, showing they are structured and functionally related to biotic interactions and bioclimatic properties, providing a mechanistic link to plant performance in ecosystems.

Estimating essential phenotypic and molecular traits from integrative biodiversity data

The paper introduces a computational framework to estimate essential molecular traits from biodiversity data using field samples and multiple omics approaches.

Feature-based Molecular Networking in the GNPS Analysis Environment

The paper introduces FBMN, a method for improving molecular networking by enhancing quantitative analysis and isomer distinction using feature detection and alignment tools in the GNPS platform.

Universal MS/MS Visualization and Retrieval with the Metabolomics Spectrum Resolver Web Service

A web service renders tandem mass spectra held in metabolomics repositories as publication-ready figures and consistent exports, addressed through Universal Spectrum Identifiers extended to metabolomics.

Golden Mutagenesis: An efficient multi-site saturation mutagenesis approach by Golden Gate cloning with automated primer design

The paper introduces Golden Mutagenesis, a method for creating mutagenesis libraries with automated primer design, enabling rapid and cost-effective multi-site saturation mutagenesis.

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

The paper introduces a microservices-based framework for scalable data analysis, validated in metabolomics, enabling dynamic scaling and integration of software tools.

Galaxy-Kubernetes integration: scaling bioinformatics workflows in the cloud

This paper integrates Galaxy with Kubernetes to enable scalable, cloud-agnostic bioinformatics workflows.

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

PhenoMeNal provides a cloud-based platform for metabolomics data analysis, integrating tools and workflows to enable reproducible and scalable research.