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Quick-start infrastructure for untargeted metabolomics analysis in GNPS.
Leao TF, Clark CM, Bauermeister A, Elijah EO, Gentry EC, Husband M, Oliveira MF, Bandeira N, Wang M, Dorrestein PC. Leao TF, et al. Nat Metab. 2021 Jul;3(7):880-882. doi: 10.1038/s42255-021-00429-0. Nat Metab. 2021. PMID: 34244695 Free PMC article. No abstract available.
MetaMiner: A Scalable Peptidogenomics Approach for Discovery of Ribosomal Peptide Natural Products with Blind Modifications from Microbial Communities.
Cao L, Gurevich A, Alexander KL, Naman CB, Leão T, Glukhov E, Luzzatto-Knaan T, Vargas F, Quinn R, Bouslimani A, Nothias LF, Singh NK, Sanders JG, Benitez RAS, Thompson LR, Hamid MN, Morton JT, Mikheenko A, Shlemov A, Korobeynikov A, Friedberg I, Knight R, Venkateswaran K, Gerwick WH, Gerwick L, Dorrestein PC, Pevzner PA, Mohimani H. Cao L, et al. Cell Syst. 2019 Dec 18;9(6):600-608.e4. doi: 10.1016/j.cels.2019.09.004. Epub 2019 Oct 16. Cell Syst. 2019. PMID: 31629686 Free PMC article.
A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products.
Reher R, Kim HW, Zhang C, Mao HH, Wang M, Nothias LF, Caraballo-Rodriguez AM, Glukhov E, Teke B, Leao T, Alexander KL, Duggan BM, Van Everbroeck EL, Dorrestein PC, Cottrell GW, Gerwick WH. Reher R, et al. J Am Chem Soc. 2020 Mar 4;142(9):4114-4120. doi: 10.1021/jacs.9b13786. Epub 2020 Feb 21. J Am Chem Soc. 2020. PMID: 32045230 Free PMC article.
Heterologous Expression of Cryptomaldamide in a Cyanobacterial Host.
Taton A, Ecker A, Diaz B, Moss NA, Anderson B, Reher R, Leão TF, Simkovsky R, Dorrestein PC, Gerwick L, Gerwick WH, Golden JW. Taton A, et al. Among authors: leao tf. ACS Synth Biol. 2020 Dec 18;9(12):3364-3376. doi: 10.1021/acssynbio.0c00431. Epub 2020 Nov 12. ACS Synth Biol. 2020. PMID: 33180461 Free PMC article.
A Multi-Omics Characterization of the Natural Product Potential of Tropical Filamentous Marine Cyanobacteria.
Leão T, Wang M, Moss N, da Silva R, Sanders J, Nurk S, Gurevich A, Humphrey G, Reher R, Zhu Q, Belda-Ferre P, Glukhov E, Whitner S, Alexander KL, Rex R, Pevzner P, Dorrestein PC, Knight R, Bandeira N, Gerwick WH, Gerwick L. Leão T, et al. Mar Drugs. 2021 Jan 6;19(1):20. doi: 10.3390/md19010020. Mar Drugs. 2021. PMID: 33418911 Free PMC article.
A community resource for paired genomic and metabolomic data mining.
Schorn MA, Verhoeven S, Ridder L, Huber F, Acharya DD, Aksenov AA, Aleti G, Moghaddam JA, Aron AT, Aziz S, Bauermeister A, Bauman KD, Baunach M, Beemelmanns C, Beman JM, Berlanga-Clavero MV, Blacutt AA, Bode HB, Boullie A, Brejnrod A, Bugni TS, Calteau A, Cao L, Carrión VJ, Castelo-Branco R, Chanana S, Chase AB, Chevrette MG, Costa-Lotufo LV, Crawford JM, Currie CR, Cuypers B, Dang T, de Rond T, Demko AM, Dittmann E, Du C, Drozd C, Dujardin JC, Dutton RJ, Edlund A, Fewer DP, Garg N, Gauglitz JM, Gentry EC, Gerwick L, Glukhov E, Gross H, Gugger M, Guillén Matus DG, Helfrich EJN, Hempel BF, Hur JS, Iorio M, Jensen PR, Kang KB, Kaysser L, Kelleher NL, Kim CS, Kim KH, Koester I, König GM, Leao T, Lee SR, Lee YY, Li X, Little JC, Maloney KN, Männle D, Martin H C, McAvoy AC, Metcalf WW, Mohimani H, Molina-Santiago C, Moore BS, Mullowney MW, Muskat M, Nothias LF, O'Neill EC, Parkinson EI, Petras D, Piel J, Pierce EC, Pires K, Reher R, Romero D, Roper MC, Rust M, Saad H, Saenz C, Sanchez LM, Sørensen SJ, Sosio M, Süssmuth RD, Sweeney D, Tahlan K, Thomson RJ, Tobias NJ, Trindade-Silva AE, van Wezel GP, Wang M, Weldon KC, Zhang F, Ziemert N, Duncan KR, Crüsemann M, Rogers S, Dorrestein PC, … See abstract for full author list ➔ Schorn MA, et al. Nat Chem Biol. 2021 Apr;17(4):363-368. doi: 10.1038/s41589-020-00724-z. Nat Chem Biol. 2021. PMID: 33589842 Free PMC article.
NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters.
Leão TF, Wang M, da Silva R, Gurevich A, Bauermeister A, Gomes PWP, Brejnrod A, Glukhov E, Aron AT, Louwen JJR, Kim HW, Reher R, Fiore MF, van der Hooft JJJ, Gerwick L, Gerwick WH, Bandeira N, Dorrestein PC. Leão TF, et al. PNAS Nexus. 2022 Nov 16;1(5):pgac257. doi: 10.1093/pnasnexus/pgac257. eCollection 2022 Nov. PNAS Nexus. 2022. PMID: 36712343 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: leao tf. 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.
23 results