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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.
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. Among authors: reher r. Mar Drugs. 2021 Jan 6;19(1):20. doi: 10.3390/md19010020. Mar Drugs. 2021. PMID: 33418911 Free PMC article.
Native metabolomics identifies the rivulariapeptolide family of protease inhibitors.
Reher R, Aron AT, Fajtová P, Stincone P, Wagner B, Pérez-Lorente AI, Liu C, Shalom IYB, Bittremieux W, Wang M, Jeong K, Matos-Hernandez ML, Alexander KL, Caro-Diaz EJ, Naman CB, Scanlan JHW, Hochban PMM, Diederich WE, Molina-Santiago C, Romero D, Selim KA, Sass P, Brötz-Oesterhelt H, Hughes CC, Dorrestein PC, O'Donoghue AJ, Gerwick WH, Petras D. Reher R, et al. Nat Commun. 2022 Aug 8;13(1):4619. doi: 10.1038/s41467-022-32016-6. Nat Commun. 2022. PMID: 35941113 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. Among authors: reher r. PNAS Nexus. 2022 Nov 16;1(5):pgac257. doi: 10.1093/pnasnexus/pgac257. eCollection 2022 Nov. PNAS Nexus. 2022. PMID: 36712343 Free PMC article.
DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data.
Kim HW, Zhang C, Reher R, Wang M, Alexander KL, Nothias LF, Han YK, Shin H, Lee KY, Lee KH, Kim MJ, Dorrestein PC, Gerwick WH, Cottrell GW. Kim HW, et al. Among authors: reher r. J Cheminform. 2023 Aug 7;15(1):71. doi: 10.1186/s13321-023-00738-4. J Cheminform. 2023. PMID: 37550756 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: reher r. 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.
25 results