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A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data.
Pin M, Poynton EF, Jordan T, Kim J, Ledingham B, van Santen JA, Yang V, Maras A, Tavangar P, Gautam V, Peters H, Sajed T, Lee BL, Shreffler HA, Koller JT, Tretter ZM, Cort JR, Sumner LW, Wishart DS, Linington RG. Pin M, et al. J Nat Prod. 2023 Nov 24;86(11):2554-2561. doi: 10.1021/acs.jnatprod.3c00795. Epub 2023 Nov 7. J Nat Prod. 2023. PMID: 37935005
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. 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.
MIBiG 3.0: a community-driven effort to annotate experimentally validated biosynthetic gene clusters.
Terlouw BR, Blin K, Navarro-Muñoz JC, Avalon NE, Chevrette MG, Egbert S, Lee S, Meijer D, Recchia MJJ, Reitz ZL, van Santen JA, Selem-Mojica N, Tørring T, Zaroubi L, Alanjary M, Aleti G, Aguilar C, Al-Salihi SAA, Augustijn HE, Avelar-Rivas JA, Avitia-Domínguez LA, Barona-Gómez F, Bernaldo-Agüero J, Bielinski VA, Biermann F, Booth TJ, Carrion Bravo VJ, Castelo-Branco R, Chagas FO, Cruz-Morales P, Du C, Duncan KR, Gavriilidou A, Gayrard D, Gutiérrez-García K, Haslinger K, Helfrich EJN, van der Hooft JJJ, Jati AP, Kalkreuter E, Kalyvas N, Kang KB, Kautsar S, Kim W, Kunjapur AM, Li YX, Lin GM, Loureiro C, Louwen JJR, Louwen NLL, Lund G, Parra J, Philmus B, Pourmohsenin B, Pronk LJU, Rego A, Rex DAB, Robinson S, Rosas-Becerra LR, Roxborough ET, Schorn MA, Scobie DJ, Singh KS, Sokolova N, Tang X, Udwary D, Vigneshwari A, Vind K, Vromans SPJM, Waschulin V, Williams SE, Winter JM, Witte TE, Xie H, Yang D, Yu J, Zdouc M, Zhong Z, Collemare J, Linington RG, Weber T, Medema MH. Terlouw BR, et al. Nucleic Acids Res. 2023 Jan 6;51(D1):D603-D610. doi: 10.1093/nar/gkac1049. Nucleic Acids Res. 2023. PMID: 36399496 Free PMC article.
NMR and Metabolomics-A Roadmap for the Future.
Wishart DS, Cheng LL, Copié V, Edison AS, Eghbalnia HR, Hoch JC, Gouveia GJ, Pathmasiri W, Powers R, Schock TB, Sumner LW, Uchimiya M. Wishart DS, et al. Metabolites. 2022 Jul 23;12(8):678. doi: 10.3390/metabo12080678. Metabolites. 2022. PMID: 35893244 Free PMC article. Review.
NP-MRD: the Natural Products Magnetic Resonance Database.
Wishart DS, Sayeeda Z, Budinski Z, Guo A, Lee BL, Berjanskii M, Rout M, Peters H, Dizon R, Mah R, Torres-Calzada C, Hiebert-Giesbrecht M, Varshavi D, Varshavi D, Oler E, Allen D, Cao X, Gautam V, Maras A, Poynton EF, Tavangar P, Yang V, van Santen JA, Ghosh R, Sarma S, Knutson E, Sullivan V, Jystad AM, Renslow R, Sumner LW, Linington RG, Cort JR. Wishart DS, et al. Nucleic Acids Res. 2022 Jan 7;50(D1):D665-D677. doi: 10.1093/nar/gkab1052. Nucleic Acids Res. 2022. PMID: 34791429 Free PMC article.