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Editorial: NMR-based metabolomics.
Junot C, Pinu FR, van der Hooft JJJ, Moco S. Junot C, et al. Among authors: van der hooft jjj. Front Mol Biosci. 2023 Dec 18;10:1337566. doi: 10.3389/fmolb.2023.1337566. eCollection 2023. Front Mol Biosci. 2023. PMID: 38223239 Free PMC article. No abstract available.
plantMASST - Community-driven chemotaxonomic digitization of plants.
Gomes PWP, Mannochio-Russo H, Schmid R, Zuffa S, Damiani T, Quiros-Guerrero LM, Caraballo-Rodríguez AM, Zhao HN, Yang H, Xing S, Charron-Lamoureux V, Chigumba DN, Sedio BE, Myers JA, Allard PM, Harwood TV, Tamayo-Castillo G, Kang KB, Defossez E, Koolen HHF, da Silva MN, E Silva CYY, Rasmann S, Walker TWN, Glauser G, Chaves-Fallas JM, David B, Kim H, Lee KH, Kim MJ, Choi WJ, Keum YS, de Lima EJSP, de Medeiros LS, Bataglion GA, Costa EV, da Silva FMA, Carvalho ARV, Reis JDE, Pamplona S, Jeong E, Lee K, Kim GJ, Kil YS, Nam JW, Choi H, Han YK, Park SY, Lee KY, Hu C, Dong Y, Sang S, Morrison CR, Borges RM, Teixeira AM, Lee SY, Lee BS, Jeong SY, Kim KH, Rutz A, Gaudry A, Bruelhart E, Kappers IF, Karlova R, Meisenburg M, Berdaguer R, Tello JS, Henderson D, Cayola L, Wright SJ, Allen DN, Anderson-Teixeira KJ, Baltzer JL, Lutz JA, McMahon SM, Parker GG, Parker JD, Northen TR, Bowen BP, Pluskal T, van der Hooft JJJ, Carver JJ, Bandeira N, Pullman BS, Wolfender JL, Kersten RD, Wang M, Dorrestein PC. Gomes PWP, et al. Among authors: van der hooft jjj. bioRxiv [Preprint]. 2024 May 14:2024.05.13.593988. doi: 10.1101/2024.05.13.593988. bioRxiv. 2024. PMID: 38798440 Free PMC article. Preprint.
Reproducible mass spectrometry data processing and compound annotation in MZmine 3.
Heuckeroth S, Damiani T, Smirnov A, Mokshyna O, Brungs C, Korf A, Smith JD, Stincone P, Dreolin N, Nothias LF, Hyötyläinen T, Orešič M, Karst U, Dorrestein PC, Petras D, Du X, van der Hooft JJJ, Schmid R, Pluskal T. Heuckeroth S, et al. Among authors: van der hooft jjj. Nat Protoc. 2024 May 20. doi: 10.1038/s41596-024-00996-y. Online ahead of print. Nat Protoc. 2024. PMID: 38769143 Review.
Tailored Mass Spectral Data Exploration Using the SpecXplore Interactive Dashboard.
Mildau K, Ehlers H, Oesterle I, Pristner M, Warth B, Doppler M, Bueschl C, Zanghellini J, van der Hooft JJJ. Mildau K, et al. Among authors: van der hooft jjj. Anal Chem. 2024 Apr 16;96(15):5798-5806. doi: 10.1021/acs.analchem.3c04444. Epub 2024 Apr 2. Anal Chem. 2024. PMID: 38564584 Free PMC article.
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics.
Bittremieux W, Avalon NE, Thomas SP, Kakhkhorov SA, Aksenov AA, Gomes PWP, Aceves CM, Caraballo-Rodríguez AM, Gauglitz JM, Gerwick WH, Huan T, Jarmusch AK, Kaddurah-Daouk RF, Kang KB, Kim HW, Kondić T, Mannochio-Russo H, Meehan MJ, Melnik AV, Nothias LF, O'Donovan C, Panitchpakdi M, Petras D, Schmid R, Schymanski EL, van der Hooft JJJ, Weldon KC, Yang H, Xing S, Zemlin J, Wang M, Dorrestein PC. Bittremieux W, et al. Among authors: van der hooft jjj. Nat Commun. 2023 Dec 20;14(1):8488. doi: 10.1038/s41467-023-44035-y. Nat Commun. 2023. PMID: 38123557 Free PMC article.
Artificial intelligence for natural product drug discovery.
Mullowney MW, Duncan KR, Elsayed SS, Garg N, van der Hooft JJJ, Martin NI, Meijer D, Terlouw BR, Biermann F, Blin K, Durairaj J, Gorostiola González M, Helfrich EJN, Huber F, Leopold-Messer S, Rajan K, de Rond T, van Santen JA, Sorokina M, Balunas MJ, Beniddir MA, van Bergeijk DA, Carroll LM, Clark CM, Clevert DA, Dejong CA, Du C, Ferrinho S, Grisoni F, Hofstetter A, Jespers W, Kalinina OV, Kautsar SA, Kim H, Leao TF, Masschelein J, Rees ER, Reher R, Reker D, Schwaller P, Segler M, Skinnider MA, Walker AS, Willighagen EL, Zdrazil B, Ziemert N, Goss RJM, Guyomard P, Volkamer A, Gerwick WH, Kim HU, Müller R, van Wezel GP, van Westen GJP, Hirsch AKH, Linington RG, Robinson SL, Medema MH. Mullowney MW, et al. Among authors: van der hooft jjj. Nat Rev Drug Discov. 2023 Nov;22(11):895-916. doi: 10.1038/s41573-023-00774-7. Epub 2023 Sep 11. Nat Rev Drug Discov. 2023. PMID: 37697042 Review.
97 results