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Statistical analysis of feature-based molecular networking results from non-targeted metabolomics data
Publication
Pakkir Shah A,
Walter A,
Ottosson F,
Russo F,
Navarro-Diaz M,
Boldt J,
Kalinski J,
Kontou E,
Elofson J,
Polyzois A,
González-Marín C,
Farrell S,
Aggerbeck M,
Pruksatrakul T,
Chan N,
Wang Y,
Pöchhacker M,
Brungs C,
Cámara B,
Caraballo-Rodríguez A,
Cumsille A,
Oliveira F,
Dührkop K,
El Abiead Y,
Geibel C,
Graves L,
Hansen M,
Heuckeroth S,
Knoblauch S,
Kostenko A,
Kuijpers M,
Mildau K,
Papadopoulos Lambidis S,
Portal Gomes P,
Schramm T,
Steuer-Lodd K,
Stincone P,
Tayyab S,
Vitale G,
Wagner B,
Xing S,
Yazzie M,
Zuffa S,
Kruijff M,
Beemelmanns C,
Link H,
Mayer C,
van der Hooft J,
Damiani T,
Pluskal T,
Dorrestein P,
Stanstrup J,
Schmid R,
Wang M,
Aron A,
Ernst M,
Petras D
(2024)
Nature protocols, 10.1038/s41596-024-01046-3, 39304763
Nature protocols, 10.1038/s41596-024-01046-3, 39304763
NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters
Publication
Leão T,
Wang M,
Da Silva R,
Gurevich A,
Bauermeister A,
Gomes P,
Brejnrod A,
Glukhov E,
Aron A,
Louwen J,
Kim H,
Reher R,
Fiore M,
van der Hooft J,
Gerwick L,
Gerwick W,
Bandeira N,
Dorrestein P
(2022)
PNAS nexus, 1, 5, 10.1093/pnasnexus/pgac257, 36712343
PNAS nexus, 1, 5, 10.1093/pnasnexus/pgac257, 36712343
Molecular replacement for small-molecule crystal structure determination from X-ray and electron diffraction data with reduced resolution
Publication
Gorelik T,
Lukat P,
Kleeberg C,
Blankenfeldt W,
Mueller R
(2023)
Acta crystallographica. Section A, Foundations and advances, 79, Pt 6, 504-514, 10.1107/S2053273323008458, 37855135
Acta crystallographica. Section A, Foundations and advances, 79, Pt 6, 504-514, 10.1107/S2053273323008458, 37855135
Pharmacology and early ADMET data of corallopyronin A, a natural product with macrofilaricidal anti-wolbachial activity in filarial nematodes
Publication
Ehrens A,
Schiefer A,
Krome A,
Becker T,
Rox K,
Neufeld H,
Aden T,
Wagner K,
Müller R,
Grosse M,
Stadler M,
König G,
Kehraus S,
Alt S,
Hesterkamp T,
Hübner M,
Pfarr K,
Hoerauf A
(2022)
Front. Trop. Dis, 3, 10.3389/fitd.2022.983107
Front. Trop. Dis, 3, 10.3389/fitd.2022.983107
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research building When artificial intelligence is too good to be true 23.10.2024 The hidden pitfalls of data leakage in pharmaceutical research Drug Discovery within the Patient 17.10.2024 Genetic analysis of