Paperbase

Marcus Ludwig

Ludwig Marcus

ORCID: 0000-0001-9981-2153

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information 10.1038/s41592-019-0344-8

ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740

Classes for the masses: Systematic classification of unknowns using fragmentation spectra 10.1101/2020.04.17.046672

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6

Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra 10.1038/s41587-020-0740-8

Assigning confidence to structural annotations from mass spectra with COSMIC 10.1101/2021.03.18.435634

Kai Dührkop

Dührkop Kai

ORCID: 0000-0002-9056-0540

Significance estimation for large scale metabolomics annotations by spectral matching 10.1038/s41467-017-01318-5

Searching molecular structure databases with tandem mass spectra using CSI:FingerID 10.1073/pnas.1509788112

Fragmentation trees reloaded 10.1007/978-3-319-16706-0_10

Critical Assessment of Small Molecule Identification 2016: automated methods 10.1186/s13321-017-0207-1

Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints 10.1093/bioinformatics/bty245

Faster mass decomposition 10.1007/978-3-642-40453-5_5

Speedy colorful subtrees 10.1007/978-3-319-21398-9_25

Fragmentation trees reloaded 10.1186/s13321-016-0116-8

Heuristic algorithms for the Maximum Colorful Subtree problem 10.4230/LIPIcs.WABI.2018.23

Metabolite identification through multiple kernel learning on fragmentation trees 10.1093/bioinformatics/btu275

Fast metabolite identification with Input Output Kernel Regression 10.1093/bioinformatics/btw246

Fast alignment of fragmentation trees 10.1093/bioinformatics/bts207

Current challenges in plant Eco-Metabolomics 10.3390/ijms19051385

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information 10.1038/s41592-019-0344-8

Feature-based Molecular Networking in the GNPS Analysis Environment 10.1101/812404

Computational methods for small molecule identification 10.1515/itit-2019-0033

ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740

Classes for the masses: Systematic classification of unknowns using fragmentation spectra 10.1101/2020.04.17.046672

Chemically-informed Analyses of Metabolomics Mass Spectrometry Data with Qemistree 10.1101/2020.05.04.077636

Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6

Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree 10.1038/s41589-020-00677-3

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra 10.1038/s41587-020-0740-8

Assigning confidence to structural annotations from mass spectra with COSMIC 10.1101/2021.03.18.435634

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment 10.1038/s41467-021-23953-9

MSNovelist: De novo structure generation from mass spectra 10.1101/2021.07.06.450875

Martin Andre Hoffmann

Hoffmann Martin Andre

ORCID: 0000-0002-3554-2710

ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740

Classes for the masses: Systematic classification of unknowns using fragmentation spectra 10.1101/2020.04.17.046672

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6

Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x

Louis-Felix NOTHIAS

NOTHIAS Louis-Felix

ORCID: 0000-0001-6711-6719

https://dorresteinlab.ucsd.edu/

Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. 10.1021/np500271u

Antiviral Activity of Diterpene Esters on Chikungunya Virus and HIV Replication 10.1021/acs.jnatprod.5b00073

LC-MS2-Based dereplication of Euphorbia extracts with anti-Chikungunya virus activity 10.1016/j.fitote.2015.06.021

Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation 10.1021/acs.jnatprod.7b00737

Propagating annotations of molecular networks using in silico fragmentation 10.1371/journal.pcbi.1006089

Did a plant-herbivore arms race drive chemical diversity in Euphorbia? 10.1101/323014

Niche partitioning of a pathogenic microbiome driven by chemical gradients 10.1126/sciadv.aau1908

Viscosin-like lipopeptides from frog skin bacteria inhibit Aspergillus fumigatus and Batrachochytrium dendrobatidis detected by imaging mass spectrometry and molecular networking 10.1038/s41598-019-39583-7

MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools 10.1101/654459

MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools 10.3390/metabo9070144

Feature-based Molecular Networking in the GNPS Analysis Environment 10.1101/812404

ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740

Classes for the masses: Systematic classification of unknowns using fragmentation spectra 10.1101/2020.04.17.046672

Ion Identity Molecular Networking in the GNPS Environment 10.1101/2020.05.11.088948

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6

Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data 10.1038/s41587-020-0700-3

Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale 10.1021/jasms.0c00240

The ant fungus garden acts as an external digestive system 10.1101/2020.11.18.389361

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra 10.1038/s41587-020-0740-8

Reply to: Examining microbe–metabolite correlations by linear methods 10.1038/s41592-020-01007-0

Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden 10.1128/mSystems.00601-21

Irina Koester

Koester Irina

ORCID: 0000-0002-1571-882X

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2 10.1038/s41587-019-0209-9

Biological Impacts of the 2013–2015 Warm-Water Anomaly in the Northeast Pacific: Winners, Losers, and the Future 10.5670/oceanog.2016.32

Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats 10.1021/acs.analchem.6b03456

High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter 10.3389/fmars.2017.00405

Short-Term Dynamics of North Sea Bacterioplankton-Dissolved Organic Matter Coherence on Molecular Level 10.3389/fmicb.2016.00321

Spatiotemporal variability in seawater carbon chemistry for a coral reef flat in Kāne‘ohe Bay, Hawai‘i 10.1002/lno.11084

Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages 10.1016/j.foodchem.2019.125290

Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x